COc1ccc2CCCC(=O)c2c1 Fr12275
Cc1ccc2oc(=O)cc(O)c2c1 Fr12277
COc1cc(=O)oc2ccccc12 Fr12290
COc1ccc(CCC(C)=O)cc1 Fr12339
CCOC(=O)Cc1ccc(O)cc1 Fr12415
CC(=O)c1cc2ccccc2oc1=O Fr12596
CCOc1cc(=O)oc2ccccc12 Fr12662
CN1C2CCC1CC(=O)C2 Fr13711
OC(=O)c1ccncc1 Fr13756
COc1cccc(CC(O)=O)c1 Fr13883
CC1=CCC(CC1)C(C)(C)O Fr14115
C1Cc2ccccc2O1 Fr14127
C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C Fr14207
CC(=O)c1ccc(C)cc1O Fr14298
Cc1ccc(cc1)C(O)=O Fr14438
[H][C@]12CCCCN1CCC[C@H]2CO Fr16605
Cl.OC[C@@H]1CCCN2CCCC[C@H]12 Fr16605L
O=C1Cc2ccccc2N1 Fr16741
Oc1ccc(CC#N)cc1 Fr16745
Cn1c2nc[nH]c2c(=O)[nH]c1=O PDK0014
Oc1cc(=O)oc2ccccc12 PDK0015
CN1[C@H]2CC[C@@H]1CC(O)C2 PDK0060
CC1=CC=C(C=C1)/C=C/C(=O)O PDK0101
COc1cc(C)cc(OC)c1O PDK0327
OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1 S00015
[Fe++].[O-]C(=O)\C=C\C([O-])=O T0001
CCNCC.Oc1ccc(O)c(c1)S(O)(=O)=O T0002
[Na+].[Na+].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N T0003
NC(=O)c1ccccc1O T0004
CC(=O)Oc1ccccc1C(O)=O T0005
O.O.O.[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C T0006
CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 T0007L
Cl.CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 T0007L2
[Na+].O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1 T0008
COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccc(F)cc1 T0009
S=c1nc[nH]c2c1[nH]cn2 T0010
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)[N+]([O-])=O)n1 T001-00000005
OCCc1ccccc1 T0011
O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12 T0012
CCOC(=O)c1c(C)n(C)c2ccc(O)cc12 T0013
COc1ccc(C=CC)cc1 T0014
Cc1ccccc1OCC(O)CO T0015
COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1 T0016
Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1 T0017
Cl.CCN(CC)CCNC(=O)c1ccc(N)cc1 T0018
[Cl-].C[N+](C)(C)CC(O)=O T0019
O.O.[Na+].Nc1ccc(C([O-])=O)c(O)c1 T0020
NCCS(O)(=O)=O T0022
[Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 T0023
CCC1(C(=O)NCNC1=O)c1ccccc1 T0024
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 T0025
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1 T0026
CCCCC(CC)COC(=O)c1ccccc1O T0027
NCC(O)CC(O)=O T0028
CCN(CC)CCOC(=O)c1ccc(N)cc1 T0029
Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C T0030
O=C(C1N(CCCC)CCCC1)NC2=C(C)C=CC=C2C T0030L
O.Cl.Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 T0031
Clc1c(cc2CC(=O)Nc2c1)CCN1CCN(c2nsc3ccccc23)CC1.Cl T0031L
Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 T0031L2
OC[C@@H](O)[C@H](O)[C@@H](O)C=O T0032
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C T0033
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C T0034
C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1 T0035
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O T0036
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl T0037
O.Cl.CCN1CC(CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1 T0038
CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1 T0039
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCC5)ccc34)[C@@H]1CC[C@@]2(O)C#C T0040
Cl.Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C T0042
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1 T0044
Cl.CC(N)CCCC(C)(C)O T0045
[Na+].CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2C1C([O-])=O T0049
Cc1c(N)c(=O)n(-c2ccccc2)n1C T0050
CCOC(N)=O T0051
CCN(CC)C(=S)SSC(=S)N(CC)CC T0054
OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12 T0055
Cl.OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12 T0055L
CCOc1ccccc1C(N)=O T0058
Cl.CN1CCC(CC1)OC(c1ccccc1)c1ccccc1 T0059
CN1CCC(CC1)OC(c1ccccc1)c1ccccc1 T0059L
CC(C)(Oc1ccc(Cl)cc1)C(O)=O T0061
Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 T0062
C(=O)([C@@H](N)[C@H](CC)C)O T0063
Nc1ncnc2[nH]cnc12 T0064
CC(=O)Nc1ccc(O)cc1 T0065
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O T0066
OC(=O)c1ccc[n+]([O-])c1 T0067
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 T0068L2
O=c1cc[nH]c(=O)[nH]1 T0069
CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O T0070
CC1CC(CC(C)(C)C1)OC(=O)c1ccccc1O T0071
Cl.CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 T0072
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1 T0073
CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 T0074
Cl.CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 T0074L
[O-][N+](=O)OCCNC(=O)c1cccnc1 T0075
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 T0076
[Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)[N-]C2=O)o1 T0077
CCN(CC)c1cc(C)nc2ncnn12 T0080
O=C(CS(=O)Cc1ccco1)NC\C=C/COc1cc(CN2CCCCC2)ccn1 T0081
Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 T0082
O=C1CC[C@@]2(C)C(=C1)C[C@@H](C(=O)OC)[C@@H]1[C@]32O[C@@H]3C[C@@]2(C)[C@H]1CC[C@@]12OC(=O)CC1 T0083
Clc1ccc(cc1)C(=O)NCCN1CCOCC1 T0084
O.Nc1nc(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)C3=C)c2[nH]1 T0085
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)C1=C T0085L
CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc2c(ccc(c32)C1)OC)O.Br T0086
O.[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1 T0087
[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1 T0087L
Cl.COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 T0088
Cl.Cl.OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 T0089
Cl.NC(=N)NC(=N)N1CCOCC1 T0090
Cl.COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1 T0091
Cl.C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 T0092
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 T0093L
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO T0094
Cl.Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl T0095
CCCc1nc(C)c2c(O)nc(nn12)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 T0096
O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1 T0097
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 T0097L
O.[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 T0098
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C T0099
Cl.Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O T0102
Cl.CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 T0103
CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 T0103L
CC(=O)N=c1sc(nn1C)S(N)(=O)=O T0106
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl T0107
CCOC(=O)[N-]c1c[n+](no1)N1CCOCC1 T0109
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 T0110
O(C(=O)N1[C@H](c2c(CC1)cccc2)c1ccccc1)[C@@H]1C2CCN(C1)CC2.O=C(O)CCC(=O)O T0111
Cl.COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O T0112
COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O T0112L
NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl T0114
Cl.C1CN=C(N1)C1COc2ccccc2O1 T0115
CNC1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 T0116
Cc1ccc(cc1)S([O-])(=O)=O.CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1 T0117
CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1 T0118
CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC T0119
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F T0120
COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c1O T0122
Nc1ccc(cc1)S(N)(=O)=O T0123
CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 T0126
CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O T0127
NC(CCC(O)=O)C=C T0128
Cl.NC(CCC(O)=O)C=C T0128L
[Cl-].C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12 T0129
OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 T0130
Nc1nc(cs1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O T0133
CC(C)Cn1cnc2c(N)nc3ccccc3c12 T0134
C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O T0136
CN1CCN2C(C1)c1ccccc1Cc1cccnc21 T0137
NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc2cccs2)C3=O)C([O-])=O)cc1 T0141
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.O.O T0141L
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O T0142
Cc1cccc(C)c1NC(=O)c1ccccc1C(O)=O T0144
CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(Cl)c1Cl)C(=O)OC T0145
Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl T0146
OC(=O)\C=C\C(O)=O.CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 T0147
CC(Oc1ccccc1)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O T0149
CC(O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 T0150
CCOC(=O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1 T0151
Cc1c(ssc1=S)-c1cnccn1 T0153
Cl.O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 T0154
Cl.CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 T0157
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 T0157L
CC(C(O)=O)c1ccc2Oc3ncccc3Cc2c1 T0159
Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl T0160
O.[Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC T0161
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 T0162
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C T0163
[Pt++].[O-]C(=O)C([O-])=O.N[C@@H]1CCCC[C@H]1N T0164
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 T0165
N12CCc3c4n(C(=C[C@@]([C@H]14)(CCC2)CC)C(=O)OCC)c1c3cccc1 T0167
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1)CCc1c3ccc(c1)O T0168
Cc1cccc(C)c1NC(=O)CN1CCCC1=O T0169
C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)C#C T0171
Cl.CNCCCC12CCC(c3ccccc13)c1ccccc21 T0172
Cl.CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 T0173
Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N T0175
O.O.Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N T0175L
O=C1C2=C(C=CC=C2O)[C@H]([C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C4=CC(CO)=CC(O)=C14 T0176
Br.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c1ccccc1 T0177
O.N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 T0178
Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O T0180
CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)OCCl T0181
COC(=O)[C@@H](N1CCc2c(C1)ccs2)c1ccccc1Cl T0182
OS(O)(=O)=O.COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl T0182L
OS(O)(=O)=O.COC(=O)C(N1CCc2sccc2C1)c1ccccc1Cl T0182L2
CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C T0183
OS(O)(=O)=O.CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C T0183L
CC(C(O)=O)c1cccc(Oc2ccccc2)c1 T0184L
CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 T0185
Cl.CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1 T0187
CCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1 T0187L
Nc1nc(=O)c2c([nH]cc2CCc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]1 T0189
[Na+].[Na+].Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)NC(CCC([O-])=O)C([O-])=O)c2c(=O)[nH]1 T0189L
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 T0191
CC[C@H](N1CCCC1=O)C(N)=O T0192
Cl.Cl.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 T0194L2
CC(O)Cn1c(C)ncc1[N+]([O-])=O T0195
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl T0196
Cl.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 T0197
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O T0199
OC(=O)CCCCC1CCSS1 T0200
Cl.CCC1(CCCCN(C)C1)c1cccc(O)c1 T0201
S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1 T0202
OC(=O)CCC(O)=O.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 T0203
Cl.CNCCCC1c2ccccc2C=Cc2ccccc12 T0204
OC(=O)\C=C/C(O)=O.CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 T0205
[Na+].[Na+].CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP([O-])([O-])=O T0208
Cl.CCOc1ccccc1OCCN[C@H](C)Cc1cc(c(OC)cc1)S(=O)(=O)N T0210
O=S(C1=CC(C[C@H](NCCOC2=CC=CC=C2OCC)C)=CC=C1OC)(N)=O T0210L
CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O T0211
Cl.CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O T0211L
CC1=C(C)C(=O)C(C(CCCCCC(O)=O)c2ccccc2)=C(C)C1=O T0212
O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12 T0213
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 T0214
Cl.CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 T0214L
[K+].CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[n-]1 T0215
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T0215L
Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 T0216
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 T0216L
OC[C@@H](O)CN1CCN(CC1)c1ccccc1 T0217
OC[C@H](O)CN1CCN(CC1)c1ccccc1 T0217L
OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 T0218
Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 T0219
[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O T0220
OC(=O)C1CSCN1 T0221
Cl.CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC T0222
OC1=C(O)C(=O)C(O)=C(O)C1=O T0223
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O T0224
OC(CC(O)=O)C(O)=O.CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12 T0225
Cl.CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 T0226
CC(C)C(Br)C(=O)NC(N)=O T0227
CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C T0229
CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)C1CC1)c1ccccc1F T0230
Cl.CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC T0231L
[Na+].COc1cccc(OC)c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O T0234
OS(O)(=O)=O.Cc1nccnc1N1CCCCC1 T0235
CC(=O)Oc1c(C)cccc1C(O)=O T0238
OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 T0239
COc1cc(cc(OC)c1OC)C(=O)N1CCOCC1 T0240
NC(=O)NS(=O)(=O)c1ccc(N)cc1 T0241
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F T0242
COc1cc(ccc1O)C(=S)N1CCOCC1 T0243
Cl.Cl.CCN(CC)CCOc1ccc2-c3ccc(OCCN(CC)CC)cc3C(=O)c2c1 T0244
O=C(OCCN1CCOCC1)CC/C(C)=C/CC2=C(O)C3=C(COC3=O)C(C)=C2OC T0245
Cl.Cl.CNCCc1ccccn1 T0246
CS(O)(=O)=O.CS(O)(=O)=O.CNCCc1ccccn1 T0246L
Cl.CC(C)NCC(O)c1ccccc1Cl T0248
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 T0249
Cl.OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O T0250
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 T0251
[Br-].C[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1 T0253
Cl.CN(C)CCCN1c2ccccc2CCc2c1cc(Cl)cc2 T0255
[Li+].[Li+].[Li+].O.O.O.O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O T0256
OCc1ccc[n+]([O-])c1 T0257
O=c1[nH]c(=O)c2ccccc2o1 T0258
OC(=O)c1cc(=O)c2ccccc2o1 T0259
[Na+].Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl T0260
O.[Na+].Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl T0260L
COc1ccc2CC3C4CCCCC4(CCN3C)c2c1 T0262L2
Cl.CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 T0263
[Na+].Cc1cc(CC([O-])=O)n(C)c1C(=O)c1ccc(Cl)cc1 T0264
O.Cl.COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 T0266
NS(=O)(=O)Cc1noc2ccccc12 T0267
CN1[C@@H](CCC[C@@H]1CC(=O)c1ccccc1)C[C@@H](c1ccccc1)O.Cl T0268
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C T0269
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO T0270
[Na+].CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC([O-])=O T0270L
CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O T0272
CCN(CC)CCNC(=O)COc1ccc(OC)cc1 T0273
CCn1nc(C(O)=O)c(=O)c2cc3OCOc3cc12 T0274
Cc1cc2CCCS(=O)(=O)c2cc1S(N)(=O)=O T0275
CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO T0276
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@H](N)[C@H](O)c1cccc(O)c1 T0279
C[C@H](N)[C@H](O)c1cccc(O)c1 T0279L
Cl.CC(N)C(O)c1cccc(O)c1 T0279L2
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 T0280
CN1C(=O)OC(C)(C)C1=O T0283
[K+].COc1c(O)ccc(c1)S(=O)(=O)[O-] T0284
CN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O T0285
Oc1cc2ccccc2cc1C([O-])=O.C[N+](C)(CCOc1ccccc1)Cc1ccccc1 T0286
[Br-].[Br-].C[N+](C)(C)CCCCCC[N+](C)(C)C T0287
OC(=O)CCc1nc2ccccc2[nH]1 T0288
Nc1c2ccccc2nc2ccccc12 T0289
Cl.Nc1c2ccccc2nc2ccccc12 T0289L
Cl.Clc1ccc2nsnc2c1NC1=NCCN1 T0290
CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 T0291
C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(F)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 T0292
CC(C)(C(=O)c1cccnc1)c1cccnc1 T0293
[Na+].CC1CC2C3CCC(O)(C(=O)COC(=O)CCC([O-])=O)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12 T0294
CN1C(C)(C)CCCC1(C)C T0296
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F T0297
Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O.CN(C)CCOC(c1ccccc1)c1ccccc1 T0298
O.OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO T0299
O.O.OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO T0299L
CN(CC#C)Cc1ccccc1 T0300
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C T0301
Cl.CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F T0302
CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F T0302L
Cc1cc(=O)[nH]c(=S)[nH]1 T0304
OC(=O)CCCCCCCCC=C T0306
NCCC1=CC=C(O)C=C1 T0307
CC(O)(P(O)(O)=O)P(O)(O)=O T0308
CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O T0309
CC(=O)Nc1ccc(CC(O)=O)cc1 T0310
OCc1ccccc1O T0311
[Cl-].Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C T0312
CCCCCCc1ccc(O)cc1O T0314
CC(=O)Nc1ccc(cc1)C(O)=O T0315
CC(=O)NC1CCSC1=O T0316
Cl.COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 T0317
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 T0317L
OC(C1CCNCC1)(c1ccccc1)c1ccccc1 T0318
Cl.OC(C1CCNCC1)(c1ccccc1)c1ccccc1 T0318L
COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC T0320
CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O T0321
Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1 T0322
CN1CCCN=C1\C=C\c1cccc(O)c1 T0323L
Cl.CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1 T0324
Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1 T0325
NC(CCC(N)=O)C(O)=O T0326
C(=O)([C@@H](N)CCC(=O)N)O T0326L
Cl.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 T0327
CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 T0328
Cl.CN(C)CCOC(c1ccccc1)c1ccccc1 T0330
COc1c2c(cc(c1N1C[C@@H]3CCCN[C@@H]3C1)F)c(=O)c(cn2C1CC1)C(=O)O.Cl T0331
[H]C1(CC1)n1cc(C(O)=O)c(=O)c2cc(F)c(N3C[C@]4([H])CCCN[C@]4([H])C3)c(OC)c12 T0331L
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO T0332
COc1ccc(cc1)C(=O)N1CCCC1=O T0333
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 T0334
[Na+].Oc1ccccc1C([O-])=O T0335
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C T0337
Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1 T0338
CC(=O)Oc1cccc(O)c1 T0339
COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C T0343
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 T0344
O[N+]([O-])=O.Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 T0344L
C1CNCCN1.C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O T0345
CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1 T0346
Cl.Cl.CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1 T0346L
Oc1ccc(cc1)C1(OS(=O)(=O)c2ccccc12)c1ccc(O)cc1 T0347
Cl.CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O T0348
Nc1nc2ccc(OC(F)(F)F)cc2s1 T0349
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 T0351
c1ccc2c(c1)sc1ccccc21 T0352
Oc1ccc(NC(=O)c2ccccc2O)cc1 T0353
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1 T0354
CCCC(CCC)C(N)=O T0355
NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O T0356
Cl.NNC(N)=N T0358
Clc1ccc(cc1)C1C(=O)c2ccccc2C1=O T0360
CC(C)CC(N)=O T0361
Cl.Clc1ccccc1CN1CCc2sccc2C1 T0362
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCCN=C1\C=C\c1sccc1C T0363
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 T0364
Cl.CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 T0364L
Cl.CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 T0365
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O T0366
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO T0367
COc1cc(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC T0368L
Cl.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC T0369
Br.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC T0369L
OC(=O)\C=C/C(O)=O.CN(C)CCC(c1ccccc1)c1ccccn1 T0370
CS(O)(=O)=O.CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 T0372
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC T0373
Cl.COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC T0373L
CS(O)(=O)=O.COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC T0373L1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C T0374L
O=C(C(c1ccccc1)CO)O[C@H]1C[C@H]2CC[C@H](N2C)C1 T0375
CCN(C(=O)\C=C\C)c1ccccc1C T0376
CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 T0377
Cl.CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC T0378
CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC T0378L
OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O T0379
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F T0380
O.O.Cl.Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O T0381
[Na+].[Na+].[O-]S(=O)(=O)CCCS([O-])(=O)=O T0382
Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 T0383
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O T0384
Cl.CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C T0386
CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C T0386L
COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 T0388
NC(=O)c1ccc(cc1Cl)[N+]([O-])=O T0390
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 T0391
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 T0392
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N T0393
Cl.CC(C)c1cc(OC(C)=O)c(C)cc1OCCN(C)C T0394
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCCN=C1\C=C\c1cccs1 T0395
CN1CCCN=C1\C=C\c1cccs1 T0395L
CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N1CCNCC1 T0396
C1CN=C(N1)C1CCCc2ccccc12 T0397
NS(=O)(=O)c1ccc(cc1)C(O)=O T0398
COC(=O)c1ccccc1O T0399
Oc1ccc([N+]([O-])=O)c2cccnc12 T0400
[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 T0401
CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 T0402
Oc1cccc2cccnc12 T0404
CC1=NN(C(=O)C1)c1ccccc1 T0407
CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O T0408
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1 T0409
[Ca++].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O T0411
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O T0412
CCNC(=O)\C=C\c1cccc(Br)c1 T0413
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO T0414
Cl.NC(N)=N T0415
[Na+].OCC(O)C(O)C(O)C(O)C([O-])=O T0416
NC(=S)NCC=C T0418
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O T0420
O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O T0421
[Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O T0423
O[Bi]1OC(=O)c2ccccc2O1 T0424
CS(O)(=O)=O.CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1 T0425
O.O.CS(O)(=O)=O.CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1 T0425L
NC(=O)CN1CCCC1=O T0426
[Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c1ccccc1 T0427
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CCCc1ccccc1)CCCc1ccccc1 T0428
[Cl-].CC[NH+](CCCc1ccccc1)CCCc1ccccc1 T0428L
N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O T0429
OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O T0430
CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO T0431
CCNCC.OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl T0432
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(O)=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 T0433
OC1O[C@@H]2[C@H](O)C(=O)O[C@@H]2[C@H]1O T0434
O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c1ccccc1)c1ccccc1 T0435
CC(=O)NCCCCCC(O)=O T0436
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O T0437
Cl.[Cl-].Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 T0438L
C(=O)([C@@H](N)Cc1c[nH]c2ccccc12)O T0439
NC(=O)N1c2ccccc2CC(=O)c2ccccc12 T0440
NNC(=O)c1ccncc1.Nc1ccc(C(O)=O)c(O)c1 T0441
CCOc1ccc(NC(=O)CC(C)O)cc1 T0442
OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O T0443
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 T0444
O[N+]([O-])=O.Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 T0444L
CC(CN1c2ccccc2Sc2ccccc12)N(C)C T0445
Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C T0445L
Cl.C(C1=NCCN1)c1cccc2ccccc12 T0446
O[N+]([O-])=O.C(C1=NCCN1)c1cccc2ccccc12 T0446L
C(C)(C)Cc1ccc(cc1)[C@H](C)C(=O)O T0448
CC1=CC(=O)c2ccccc2C1=O T0449
CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 T0450
Cl.CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 T0450L
Nc1cc(nc(=N)n1O)N1CCCCC1 T0451
OCC(O)CN1CCN(CC1)c1ccccc1 T0452
Cl.CNC[C@H](O)c1cccc(O)c1 T0453
Cl.CNCC(O)c1cccc(O)c1 T0453L
C(=O)(C(Cl)Cl)N[C@@H]([C@@H](c1ccc(cc1)S(=O)(=O)C)O)CF T0454
O=C(N[C@H](CF)[C@H](O)c1ccc(S(=O)(=O)C)cc1)C(Cl)Cl T0454L
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 T0455
OC(=O)c1cc(nc2ccccc12)-c1ccccc1 T0456
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O T0457
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 T0458
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O T0459
Cl.CCCCOc1ccc(OCCCN2CCOCC2)cc1 T0460
[Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC T0461
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 T0462
CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1 T0463
[Na+].CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1 T0463L
Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O T0465
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F T0466
CCN(CC)CC(=O)Nc1c(C)cccc1C T0468
Cl.NCC(O)c1ccc(O)cc1 T0469
Cl.CN1CCOC(c2ccccc2)c2ccccc2C1 T0470
CCCCCCCCCCOc1cc2c(cc1OCC)[nH]cc(C(=O)OCC)c2=O T0471
Cl.COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 T0472
OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T0473
OC(=O)\C=C/C(O)=O.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 T0475
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C T0476
CC(N(O)C(N)=O)c1cc2ccccc2s1 T0477
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T0478
O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 T0479
Cn1c2ncn(CC3OCCO3)c2c(=O)n(C)c1=O T0480
Cl.CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 T0482
Cl.CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 T0483
COc1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F T0484
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C T0488
CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O T0489
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 T0490
CCOc1cc(C=O)ccc1O T0491
COC(=O)\C=C\C(=O)OC T0492
C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493
Cl.C1CN2CC(N=C2S1)c1ccccc1 T0494
Nc1nccs1 T0495
CN1CC(=O)NC1=N T0496
[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C T0497
OC(=O)c1ccccc1OC(=O)c1ccccc1O T0498
COc1ccc(C(=O)c2ccccc2)c(O)c1 T0499
Oc1c(Cl)cc(Cl)c2cccnc12 T0500
COc1ccc(O)cc1 T0501
[O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-] T0502
N(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C T0503
CC1CC(CC(C)(C)C1)OC(=O)C(O)c1ccccc1 T0504
C(=O)([C@@](N)(Cc1cc(c(O)cc1)O)C)O T0505
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 T0506
C(=O)([C@H]1NC(=O)CC1)O T0507
NCCCC(O)=O T0508
Oc1ccc(Cl)c2cccnc12 T0509
NC(N)=NS(=O)(=O)c1ccc(N)cc1 T0510
Cl.CC(CN1CCCCC1)C(=O)c1ccc(C)cc1 T0511
OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 T0512
Oc1c(I)cc(I)c2cccnc12 T0513
O=C1C(C(=O)c2ccccc12)c1ccccc1 T0514
Oc1ccc2sc(=O)oc2c1 T0515
[Na+].CC(CCC([O-])=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O T0516
Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O T0518
CCOC(=O)O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccc(OC)cc12 T0519
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O T0520
CCC(=O)c1c(O)cc(O)cc1O T0525
Nc1ccc(cc1C(=O)c1ccccc1)[N+]([O-])=O T0526
COc1ccc(C=O)c(OC)c1OC T0527
COc1ccc(F)cc1 T0528
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO T0529
O=C1CC(Oc2ccccc12)c1ccccc1 T0530
CC(C)C[C@H](CC(N)=O)CC(O)=O T0531
CC1CNC(=O)NC1=O T0532
Cl.NN1CCCCC1 T0533
OC(c1ccc(cc1)C#N)c1ccc(cc1)C#N T0534
CC12CC3CC(C)(C1)CC(O)(C3)C2 T0535
N#CC1CC1 T0536
Cl.COc1cc2CC(CC3CCNCC3)C(=O)c2cc1OC T0537
CC1C(=O)Nc2ccccc12 T0538
OC(=O)CCc1ccc(O)c(O)c1 T0539
OC1c2ccccc2CCc2ccccc12 T0540
Fc1cccc2ccccc12 T0541
COc1ccc(CC(O)=O)cc1O T0542
Cn1cnc2[nH]c(=O)[nH]c(=O)c12 T0543
ClC(Cl)(c1ccccc1)c1ccccc1 T0544
OCCN1CCNC1=S T0545
CC(C)(C)C(=O)OC(=O)C(C)(C)C T0546
CC(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O T0547
COC(=O)c1cncc(C)c1 T0548
CC(=O)c1ccc(cc1)C(C)(C)C T0549
Clc1ccc2n(C3CCNCC3)c(=O)[nH]c2c1 T0550
Cl.NCCC[C@@H](N)C(O)=O T0551
NC(=O)c1ccncc1 T0552
OC(=O)c1ccc(O)c(c1)C(O)=O T0553
CCCCNC(=O)NCCCC T0554
CCN(CC)CC#CCO T0555
COc1ccc2cc(ccc2c1)C(O)=O T0556
CNc1cccc(C)c1 T0557
COc1cc(CCC(O)=O)ccc1O T0558
O=C1c2ccccc2CCc2ccccc12 T0559
NCCC(c1ccccc1)c1ccccc1 T0560
COc1ccc(cc1C(O)=O)S(N)(=O)=O T0561
OC(=O)c1ccc(O)c(O)c1 T0562
COc1ccc(CC#N)cc1OC T0563
O=C1CCc2ccccc12 T0564
Cl.ClCCNCCCl T0565
Cc1ccccc1C(O)c1ccccc1 T0566
Nc1ccc(Cl)cc1C(O)=O T0567
COc1ccc(CC(O)=O)cc1OC T0568
OC(=O)c1cnccn1 T0569
OC(=O)c1cc(O)cc(O)c1 T0570
Cc1ccccc1S(N)(=O)=O T0571
COC(=O)c1cc(OC)c(OC)c(OC)c1 T0572
COc1ccc2ccccc2c1 T0573
S(c1ccccc1)c1ccccc1 T0574
Cn1ccnc1 T0575
CCN(CC)CCOCCO T0576
Clc1ccc2sc(=O)[nH]c2c1 T0577
Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O T0579
OC(=O)CCC#C T0580
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O T0581
OC[C@H](O)[C@H](O)CO T0583
O([C@@H]([C@@H]([C@H](C=O)O)O)[C@@H](CO)O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T0584
O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O T0584L
OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO T0585
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T0585L
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O T0586
C1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O T0587
O[C@@H]1COC(O)[C@@H](O)[C@@H]1O T0588
OC[C@H](O)[C@@H](O)[C@H](O)CO T0589
[Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] T0590
OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O T0591
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O T0591L
C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O T0592
COS([O-])(=O)=O.C[N+]1(C)CCC(CC1)=C(c1ccccc1)c1ccccc1 T0594
O=C1NC(C(=O)N1)c1ccccc1 T0596
CC(C)Cc1ccc(cc1)C(C)=O T0597
N1c2ccccc2C=Cc2ccccc12 T0598
CN(C(=O)C(F)(F)F)[Si](C)(C)C T0599
NC(=O)N1c2ccccc2CCc2ccccc12 T0600
OC(=O)c1ccccc1C(=O)OCc1ccccc1 T0601
CCCCC(CC)COC(=O)c1ccccc1C(O)=O T0603
Nc1nc(N)nc(Cl)n1 T0604
CCCCOC(=O)c1ccccc1C(O)=O T0606
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 T0607
Cl[C@H]1[C@H]2O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl T0608
c1ccc(cc1)\N=N\c1ccccc1 T0609
Oc1cc(/C=C/c2cc(O)c(O)cc2)cc(O)c1 T0610
COc1c(O)ccc(c1)C(O)C(=O)O T0611
COc1ccc2cc(ccc2c1)C(C)O T0612
CC(C)(O)CC(O)=O T0613
COc1cc(N)c(Cl)cc1C(O)=O T0614
Cl.Clc1cccc(c1)N1CCNCC1 T0615
NC(=O)c1ccc[n+]([O-])c1 T0617
ClC(=O)C(=O)c1c[nH]c2ccccc12 T0618
Clc1ccc2Sc3ccccc3Nc2c1 T0622
N#CC(c1ccccc1)c1ccccc1 T0623
Oc1ccc(cc1)C(=O)c1ccccc1 T0624
Cn1cnc2n(C)c(=O)[nH]c(=O)c12 T0625
O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 T0626
NCCC(O)=O T0627
C1Cc2ccccc2Nc2ccccc12 T0628
OC(=O)C(=C)c1ccccc1 T0629
O=C1NCCN1 T0630
CCC(C(O)=O)c1ccccc1 T0631
COc1cc(cc(OC)c1OC)C(O)=O T0632
Clc1ccccc1C(=O)c1ccccc1 T0633
CCCC(=O)Nc1ccc(O)c(c1)C(C)=O T0634
COCCc1ccc(O)cc1 T0635
C[N+]1([O-])CCOCC1 T0636
COc1ccc2cc(ccc2c1)C(C)=O T0637
Cc1ncc([nH]1)[N+]([O-])=O T0638
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1 T0640
COc1ccc2Sc3ccccc3Nc2c1 T0642
Clc1cccc(Cl)c1N1C(=O)Cc2ccccc12 T0643
Cc1cc(N)no1 T0644
CC(=O)NC12CC3CC(CC(C3)C1)C2 T0645
Nc1ccc(O)c(c1)C(O)=O T0646
NCCc1c[nH]c2ccccc12 T0647
OC(=O)c1ccccc1O T0649
CC(=O)Oc1ccccc1 T0650
C(Nc1ccccc1)c1ccccc1 T0651
ClCCOP(=O)(OCCCl)OCCCl T0653
C1CC=CO1 T0654
COc1ccc(CO)cc1OC T0657
OCCc1ccccn1 T0658
CC1=NN(C(=O)C1C1C(C)=NN(C1=O)c1ccccc1)c1ccccc1 T0659
O=C1CCc2ccccc2C1 T0660
CN(C)S(Cl)(=O)=O T0661
O=c1[nH]c2ccccc2[nH]1 T0662
COc1ccc2cc(Br)ccc2c1 T0663
NNC(=O)c1cccnc1 T0664
O=c1[nH]c2nc[nH]c2c(=O)[nH]1 T0665
OC(=O)c1ccc(Cl)cc1O T0666
OC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F T0667
Cl.NN1CC(=O)NC1=O T0668
[Na+].Cc1ccc(cc1)S(=O)(=O)[N-]Cl T0669
C(=O)([C@@H](N)CCCNC(=N)N)O.Cl T0670
Oc1ccc2ccccc2c1 T0671
[Na+].CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC([O-])=O)C12 T0672
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1 T0674
CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 T0675
NC(=O)NO T0676
Cl.CN(C)CCC=C1c2ccccc2CCc2ccccc12 T0678
Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl T0680
Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 T0682
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 T0683
NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T0684
CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C T0685
C(=O)([C@@H](NC=O)CC(C)C)O[C@@H](CCCCCCCCCCC)C[C@@H]1OC(=O)[C@H]1CCCCCC T0686
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 T0687
Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 T0688
CC(=O)Nc1nc2n(COC(COC(C)=O)COC(C)=O)cnc2c(=O)[nH]1 T0688L
C(=O)([C@H](N)Cc1ccccc1)O T0689
COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1 T0690
COc1cc(O)c(cc1S(O)(=O)=O)C(=O)c1ccccc1 T0691
Oc1ncnc2[nH]ncc12 T0692
OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F T0693
O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1 T0694
COc1ccc(cc1)C(=O)CC(=O)c1ccc(cc1)C(C)(C)C T0695
COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 T0696
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O T0697
COc1ccc(C(=O)c2ccccc2O)c(O)c1 T0698
COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 T0699
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T0700
Oc1c(Br)cc(Br)c2cccnc12 T0701
NCC1(CC(O)=O)CCCCC1 T0702
Cl.Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1 T0703
Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1 T0703L
NNC(=O)CC#N T0704
CC(=O)Oc1cc(ccc1C(O)=O)C(F)(F)F T0705
O.NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O T0706
O.ClCCN(CCCl)P1(=O)NCCCO1 T0707
OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1 T0708
[C@H]1(N)CONC1=O T0710
Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O T0711
NCCO.Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O T0711L
CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 T0712
Cl.CCCCCCCCN[C@@H](C)[C@H](O)c1ccc(SC(C)C)cc1 T0712L
Cl.CCN(CC)CCOC(=O)C(C1CCCCC1)c1ccccc1 T0713
COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)c1ccccc1 T0714
CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O T0715
Cl.CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12 T0716
CCn1cc(C(O)=O)c(=O)c2cc(F)c(nc12)N1CCNCC1 T0717L
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(\C=C\Br)c(=O)[nH]c1=O T0718
NCCO.CC(Cc1cc(C)cc(=O)n1O)CC(C)(C)C T0721
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O T0722
Cl.Clc1ccc(cc1)C(OCCN1CCCCC1)c1ccccc1 T0723
COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O T0724
Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1 T0725
Cl.CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 T0726
CCCCOCCOCCOCc1cc2OCOc2cc1CCC T0727
CCC1(C)CC(=O)NC1=O T0728
O=C(OCc1ccccc1)c1ccccc1 T0729
CC(=O)OCC(COC(C)=O)OC(C)=O T0730
CCN(CC)C(=O)c1cccc(C)c1 T0731
OCc1ccccc1 T0732
Cc1cc(=O)n(-c2ccccc2)n1C T0734
C(=O)([C@@H](N)CCCN)O T0737
NC(N)=O T0738
COc1ccccc1OCC(O)CO T0739
Cl.CN(C)C(=N)NC(N)=N T0740
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 T0741
C[N+](C)(C)CC(O)CC(=O)[O-] T0743
[Zn++].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C T0744
OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T0746
Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 T0747
COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 T0748
OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 T0749
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C T0750
C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-] T0751
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O T0752
Oc1ccccc1C(=O)Nc1ccccc1 T0753
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 T0754
C(=O)([C@H](CCC(=O)O)NC(=O)N)O T0755
CCOc1ccc2NC(C)(C)C=C(C)c2c1 T0756
COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C T0757
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O T0758
Oc1ccc(OCc2ccccc2)cc1 T0759
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C T0760
COc1ccc(cc1)\C=C\C T0762
CC(O)CC(C)(C)O T0763
Cc1cn[nH]c1 T0765
Cl.CN(C)CCCN1c2ccccc2Sc2ccccc12 T0766
CN(C)CCCN1c2ccccc2Sc2ccccc12 T0766L
Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 T0767
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCc1nc(no1)-c1ccccc1 T0768
[ClH-].CC[NH+](CC)CCc1nc(no1)-c1ccccc1 T0768L
CC(=O)N[C@@H](CCC(N)=O)C(O)=O T0769
COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-] T0770
OCC1OC(OC2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc23)C(O)C(O)C1O T0771
CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O T0773
O=c1ccc2ccccc2o1 T0775
N1c2ccccc2Sc2ccccc12 T0776
CCOC1=CC=C(NC(C)=O)C=C1 T0778
[Br-].CN(C)C(=O)Oc1ccc[n+](C)c1 T0780
OCC(S)CS T0781
NS(=O)(=O)c1cc2c(NC(CSCc3ccccc3)=NS2(=O)=O)cc1Cl T0782
Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 T0783
Cc1c(Cl)cccc1Nc1ccccc1C(O)=O T0784
OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 T0785
CN(C)CCC(C1=CC=C(Cl)C=C1)C2=NC=CC=C2 T0785L
[Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 T0786
COc1ccc(O)c(c1)C(C)(C)C.COc1ccc(O)cc1C(C)(C)C T0787
Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O T0788
O.O.O.O.O.Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O T0788L
FS(=O)(=O)Cc1ccccc1 T0789
CNC(=O)Oc1cccc2ccccc12 T0790
O.O.O.O.O.OS(O)(=O)=O.C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1 T0792
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O T0793L
[Br-].C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 T0794
Cl.CCCNC(C)C(=O)Nc1ccccc1C T0796
CN\C(NCCSCc1nc[nH]c1C)=N\C#N T0797
C[C@@]12[C@](C(=O)CO)(O)[C@H](O)C[C@H]1[C@@H]1CCC3=CC(=O)C=C[C@]3(C)[C@@]1(F)[C@@H](O)C2 T0798
OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O T0799
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 T0800
Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1 T0802
Cl.CC[C@H]1[C@@H](Cc2cncn2C)COC1=O T0804
Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O T0805
Cl.Cl.Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 T0806
OCC(Br)(Br)Br T0807
OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F T0808
Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 T0809
Cl.Cl.CC[C@@H](CO)NCCN[C@@H](CC)CO T0810
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC T0811
Cl.CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC T0811L
Cl.CC(C)NCC(O)COc1cccc2ccccc12 T0812
O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O T0814
[H][C@@]1(NC(=O)[C@H](N)c2ccccc2)C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H] T0814L
CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccccc3)C(=O)N2[C@H]1C(O)=O T0814L1
CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 T0816
[Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C T0818
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C T0818L
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)CO)CCC1=CC(=O)C=C[C@]31C)F)O T0820
OP(O)(O)=O.CC(C)NNC(=O)c1ccncc1 T0821
[C@H]1([C@H](Cc2c(cc(cc2O1)O)O)O)c1cc(c(cc1)O)O T0822
NC(=O)CCCCC1CCSS1 T0823
CCCCCCCCCc1ccc(OCCO)cc1 T0824
O=c1n([se]c2ccccc12)-c1ccccc1 T0825
CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O T0826
Cl.CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 T0828
Cn1c2ncn(CCO)c2c(=O)n(C)c1=O T0829
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O T0830
OC(=O)c1ccccc1 T0833
CCOC(=O)c1ccc(O)cc1 T0834
COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC T0836
CSc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1 T0838
CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 T0839
C[C@H](C(=O)O)c1cccc(c1)C(=O)c1ccccc1 T0839L
Cn1ccnc1S T0840
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O T0841
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 T0844
Nc1nc(N)nc(NC2CC2)n1 T0845
C[N+](C)(C)C[C@H](O)CC(=O)[O-] T0846
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T0847
N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O T0848
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 T0849
OP(O)(O)=O.OP(O)(O)=O.COc1cc(NC(C)CCCN)c2ncccc2c1 T0850
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T0851
[Na+].CN1C(CC2=C\C(=N\NC(N)=O)C(=O)C=C12)S([O-])(=O)=O T0852
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T0853
O.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O T0853L
COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O T0855
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1 T0856
CCCCC(O)c1ccccc1 T0857
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F T0858
OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 T0859
[C@@H](O)([C@@H]1NCCCC1)c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F.Cl T0860
O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F T0860L
Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 T0862
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O T0863
Cl.CN\C(NCCSCc1ccc(CN(C)C)o1)=C\[N+]([O-])=O T0865
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1 T0866
CCCCOc1ccc(CC(=O)NO)cc1 T0867
C[N+]1(CC(CS[C@]2([H])[C@@H]3NC(/C(C4=CSC(N)=N4)=N\OC)=O)=C(C([O-])=O)N2C3=O)CCCC1 T0868L
Cl.CNCC[C@@H](Oc1ccccc1C)c1ccccc1 T0869
[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] T0870
O.OC(C(O)C(O)=O)C(O)=O.NC[C@H](O)c1ccc(O)c(O)c1 T0871
[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1 T0872
Cl.[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1 T0872L
Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O T0873
Cc1ncc(n1C)[N+]([O-])=O T0874
CC(=O)N[C@@H](CS)C(O)=O T0875
Oc1c(I)cc(Cl)c2cccnc12 T0876
OC(=O)c1cc(O)c(O)c(O)c1 T0877
OC(=O)c1cccnc1 T0879
O=C(C1=NC=CC=C1)O.[H]Cl T0879L
OCC(Br)(CO)[N+]([O-])=O T0880
NCCCCCC(O)=O T0881
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 T0882
NCCCS(O)(=O)=O T0883
CCCCCCCCCCCCCCCCCCCCCCO T0884
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 T0885
OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O T0887
OC(=O)Cc1ccc(cc1)-c1ccccc1 T0888
O=C1NS(=O)(=O)c2ccccc12 T0889
Cc1cccc(Nc2ccccc2C(O)=O)c1C T0890
Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 T0891
Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O T0892
CCS(=O)(=O)CCn1c(C)ncc1[N+]([O-])=O T0893
Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N T0894
[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C T0895
Cl.[O-][N+](=O)c1ccc(\C=N\N2CC(CN3CCOCC3)OC2=O)o1 T0896
[O-][N+](=O)c1ccc(\C=N\N2C[C@H](CN3CCOCC3)OC2=O)o1 T0896L
NC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T0897
Cc1cc(O)cc(C)c1Cl T0898
CC(=O)C1C(=O)OC(C)=CC1=O T0899
O.[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1 T0900
CC(C)(O)C(Cl)(Cl)Cl T0901
CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T0902
C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 T0903
Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O T0905
OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 T0907
Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 T0908
CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 T0909
[Na+].CCn1cc(C([O-])=O)c(=O)c2ccc(C)nc12 T0909L
O.CC(C)(O)[C@H]1CC[C@@](C)(O)CC1 T0910
[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O)c1csc(N)n1 T0911
Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O T0912
[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O T0912L
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 T0913
CC(=O)Nc1cccc(O)c1 T0914
CCCCOC(=O)c1ccc(N)cc1 T0916
[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c1cnc2ccccc2n1 T0917
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c1ccccc1 T0918
Cl.CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1 T0919
C1C[C@@H](CC[C@H]1NCc1cc(cc(c1N)Br)Br)O T0920
Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1 T0921
Nc1nc2cc(Cl)ccc2o1 T0922
CS(=O)(=O)OCCCCOS(C)(=O)=O T0923
CCOC(=O)c1ccc(N)cc1 T0924
NC(=O)NC1NC(=O)NC1=O T0925
OC(=O)CCCCCCCC(O)=O T0926
CCCCOC(=O)c1ccc(O)cc1 T0927
OC[C@H](O)[C@H]1OC(=O)C(O)=C1O T0928
[Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O T0929
Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 T0930
Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O T0932
C1(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 T0933
NC(=O)c1cccnc1 T0934
Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C T0935
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C T0937
c1nc(cs1)-c1nc2ccccc2[nH]1 T0938
O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1 T0939
[K+].CC1=CC(=O)[N-]S(=O)(=O)O1 T0940
OS(=O)(=O)NC1CCCCC1 T0941
Cl.Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 T0942
NC(=O)N1c2ccccc2C=Cc2ccccc12 T0943
c1ccc(cc1)[C@H]1CN2CCSC2=N1.Cl T0944
Cl.CN1CCCCC1C(=O)Nc1c(C)cccc1C T0946
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O T0947
Cl.CNCC(=O)c1ccc(O)c(O)c1 T0948
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO T0948L
NC[C@H]1CC[C@@H](CC1)C(O)=O T0949
OS(O)(=O)=O.CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 T0951
CCOC(=O)n1ccn(C)c1=S T0952
[Na+].Cc1nnc(s1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cn2nnnc2)SC1)C(=O)[O-] T0953
FC(F)(F)C(Cl)Br T0954
Oc1c(Cl)cc(Cl)cc1NC(=O)c1c(O)c(Cl)cc(Cl)c1Cl T0955
COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C T0957
[Na+].CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C([O-])=O T0958
CCOc1cc(NC(C)=O)ccc1C(=O)OC T0959
NC(CO)(CO)CO T0961
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1 T0962
c1cc(c2c3c1C[C@@H]1[C@]4([C@@]3([C@H](C(=O)CC4)O2)CCN1CC1CC1)O)O.Cl T0963
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O T0964
NCCc1c[nH]cn1 T0965
CN1C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1 T0970
NNC(=O)c1ccncc1 T0972
Cc1ncc(CO)c(CO)c1O T0973
Cl.Cc1ncc(CO)c(CO)c1O T0973L
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl T0975
CNC(=O)Oc1ccccc1OC(C)C T0976
C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 T0977
Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C T0980
Cl.COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12 T0981
CC(C)(S)[C@@H](N)C(O)=O T0983
CC(C)(S)C(N)C(O)=O T0983L
Fc1c[nH]c(=O)[nH]c1=O T0984
[Na+].Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O)-c1ccccc1 T0985
Nc1nc(=O)[nH]cc1F T0986
Oc1cc(=O)[nH]cc1Cl T0987
Cl.Cl.COc1ccc(CN2CCNCC2)c(OC)c1OC T0988
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O T0989
Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O T0990
Cl.CNCCCN1c2ccccc2CCc2ccccc12 T0991
Cl.COc1ccc(OC)c(c1)C(O)C(C)N T0993
COc1ccc(OC)c(c1)C(O)C(C)N T0993L
OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12 T0994
[C@@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@H]2C(=C[C@H](CC2)OC(=O)C)CC1)C)(OC(=O)C)C#C T0996
COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1 T0997
CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C T0998
CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(Cl)c1Cl)C(=O)OC T0999
Cn1c2ncn(CC(O)CN3CCN(CCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O T10000
CC(C)NC\C(COc1ccccc1CC=C)=N/O T10001
CCC1(C\C=C\C)C(=O)NC(=O)NC1=O T10002
C[C@H]1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1 T10003
Nc1c(Cl)cc(C(=O)NC[C@H]2CN3CCN2CC3)c2OCCOc12 T10006
O=C1C=CC(=O)c2c1ccc1c2ccc2ccccc12 T10007
CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1 T10008
CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 T10009
OCC(O)C(O)C(O)c1cnc2ccccc2n1 T10010
CC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2C)c1=O T10013
CO[C@H]1CC[C@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 T10014
Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T10015
CC(C)(CO)CCCCOCCCCC(C)(C)CO T10016
CCCCC/C=C\C/C=C\CCCCCCCC(OCC(O)CO)=O T10017
Cn1cnc2ncnc2c1N T10018
Cn1ccc(N)nc1=O T10019
CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12 T1002
Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O T10020
Cn1c(=O)[nH]c2nc[nH]c2c1=O T10021
Oc1cccc2ccccc12 T10023
C\C=C\S(=O)C[C@H](N)C(O)=O T10025
CCC(N1CC(CC1=O)C=C(F)F)C(N)=O T10027
COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(C1)C(C)=O T10028
Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(O)=O T10031
CS(=O)(=O)c1ccc(cc1)-c1cc(nn1-c1ccc(F)cc1)C#N T10032
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2c(Cl)cccc12)C(F)(F)F T10033
C[C@@H]1CCC\C=C\C(=O)c2c(O)cc(O)cc2CC(=O)O1 T10034
CCCCCCCCCCC#CC#CCCCCCCCCC(O)=O T10035
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12O T10036
CC(C)C(=O)OCC1(CO1)c1ccc(C)cc1OC(=O)C(C)C T10037
CCCCCC\C=C/CCCCCCCCCCOC(C)=O T10038
C(Nc1ncnc2[nH]cnc12)c1ccccc1 T1004
[H][C@@]12CC[C@H](O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C T10041
CCCCCC(=O)\C=C\C=C\CCCCCCCC(O)=O T10044
[H][C@]12O[C@@H]3[C@H](O)C[C@@](C)([C@]33CO3)[C@@]1(COC(C)=O)[C@H](O)C(=O)C(C)=C2 T10045
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O T10046
[H][C@@]12N3c4ccccc4[C@@]11CCN4CC5=CCO[C@@H](CC3=O)[C@]2([H])[C@@]5([H])C[C@@]14OC T10047
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T10048
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T10049
C(=O)([C@@H](c1ccc(cc1)O)N)N[C@H]1[C@@H]2N([C@H](C(S2)(C)C)C(=O)O)C1=O T1005
[H][C@@]12CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T10050
CN1CCN(Cc2cccc(C)c2)CC(C1)NC(=O)c1n[nH]c2ccccc12 T10051
Cc1c(NC2=NCCN2)cc(C#N)c2[nH]cnc12 T10052
CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1 T10053
COc1ccc2n(c(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1)-c1ccccc1 T10054
Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 T10055
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 T10058
[H][C@]12CC(CSC)CN(CCC)[C@]1([H])Cc1cn[nH]c1C2 T10059
O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O T1005L
[Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc12)C(C)C T1006
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O T10061
[H][C@@]12C[C@@]1(CN(CCCSc1nnc(-c3ocnc3C)n1C)C2)c1ccc(cc1F)C(F)(F)F T10062
COc1ccc(cc1)[Si](C)(C)COc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C T10063
Cl.CC1(C)C2Cc3ccc(O)cc3C1(O)CCN2CCC#C T10064
C[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(N)ncnc12 T10066
Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F T10067
OC[C@H]1O[C@H]([C@H](N=[N+]=[N-])[C@@H]1O)n1ccc(=O)[nH]c1=O T10068
CC1CCCC(C)N1 T1007
CC(C)C(O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(O3)=O)[C@@]12[H])=O T10070
Cl.Cc1ccc(nc1)N(C1CCN(CCC(O)C2CCCCC2)CC1)C(=O)c1ccco1 T10071
CC(C(O)=O)c1ccc(CC(C)(C)O)cc1 T10072
COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 T10073
OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C=O T10074
Cc1[nH]c2ccc(O)cc2c1CCN T10075
OC(=O)\C=C/C(O)=O.Cc1[nH]c2ccc(O)cc2c1CCN T10075L
OC1=CC2=C(NC(C)=C2CCN)C=C1.[H]Cl T10075L2
CC(C(O)=O)C(O)(CC(O)=O)C(O)=O T10076
CC(C(=O)O[Na])C(O)(CC(=O)O[Na])C(=O)O[Na] T10076L
OC[C@H](O)[C@H]1OC(=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O T10077
[H]Cl.[H]Cl.CCCC1=CC=C(C2=CC=C(N(C[C@@H](N)[C@@H](C)CC)C([C@@H]3[C@@H](C4=CC=CC=N4)C3)=O)C=C2)C=C1.CCCC5=CC=C(C6=CC=C(N(C[C@@H](N)[C@@H](C)CC)C([C@H]7[C@H](C8=CC=CC=N8)C7)=O)C=C6)C=C5 T10078
COC[C@H](O)COc1ccc(OCc2cccc(Cl)c2)cc1 T10079
S1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N)C(=O)O)C T1008
CCCN1C[C@H](OC[C@@H]1C)c1ccc(N)nc1 T10080
C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2=O)n1=O)c1cccc(Cl)c1 T10081
CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N T10082
COc1ccc(cc1)-c1nc(sc1-c1ccc(OC)cc1)-c1cccn1CC(O)=O T10083
Cc1c(CC(O)=O)c(nn1Cc1ccccc1S(=O)(=O)N1CCOCC1)-c1ccccc1 T10084
[H][C@@]12CC[C@]([H])([C@@](C)(O)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T10085
[H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T10086
[H][C@@]12CC[C@H]([C@H](C)CC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C T10087
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](O)C3CC3)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T10088
CC(Oc1ccc2c(Oc3ccccc3S2(=O)=O)c1)C(F)(F)F T10089
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O T1009
CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1 T10090
CCSC1Oc2cc(O)ccc2C=C1c1ccc(O)cc1 T10091
Fc1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CC2)s1 T10092
C[C@@H]1[C@H](CC(=O)N1CC(N)=O)c1ccccc1 T10093
C[C@H]1[C@H](CC(=O)N1CC(N)=O)c1ccccc1 T10093L
C[C@@H]1[C@@H](CC(=O)N1CC(N)=O)c1ccccc1 T10094
N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O T10095
CN1CC[C@@H]([C@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F T10096
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F T10096L
C[C@H]1[C@@H](CC(=O)N1CC(N)=O)c1ccccc1 T10097
CC(C)(C)c1cc(\C=C2/CCOC2=O)cc(c1O)C(C)(C)C T10098
Nc1ncc([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 T10099
Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC T1010
COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1 T10100
CN(C1=CC=C2C(N=C3C=C(C=CC3=C2NCCCN(C)C)N(C)C)=C1)C.[x T10102
Br.NCc1ccc(O)c(O)c1 T10104
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O T10105
COc1cccc(c1)-c1cc2ccc(cc2c(N)n1)N(C)C T10106
[O-][N+](=O)c1cccc2c(Br)n[nH]c12 T10107
Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O T10108
CC1=CCC2C(C1)C2(C)C T10109
CCOC(=O)c1cc2cc3ccoc3cc2oc1=O T10110
Cl.Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T10111
Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T10111L
COc1ccc(cc1O)C(C)=O T10112
[2H]C([2H])([2H])Oc1ccc2cc(O)cc(CCNC(C)=O)c2c1 T10113
COc1ccc2cc(O)cc(CCNC(C)=O)c2c1 T10114
[O-][N+](=O)c1cc2ccccc2oc1=O T10115
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC(C)=O)c3ccc(=O)oc3)[C@@]1(C)CC[C@@H](C2)OC(C)=O T10116
CC(=O)O[C@H]1Cc2c(OC1(C)C)cc1oc(C)cc(=O)c1c2O T10117
OC(C(OC)=C1)=C(C=C1C(C2=C([2H])C([2H])=C(C([2H])=C2[2H])C([2H])([2H])[2H])=O)[N+]([O-])=O T10118
COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccc(C)cc1 T10119
Cl.CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O T1012
COc1cc2CCOC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F T10121
OC(CO\N=C(/Cl)c1cccn(=O)c1)CN1CCCCC1 T10122
COCCN(C)CCOc1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O T10123
COc1ccc(CCNC(=O)CNc2cccc(c2)C(N)=O)cc1OC T10124
C=CCCCCCCC[C@@H]1[C@@H](CCc2cccnc2)OC1=O T10125
CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O T10126
[2H]C([2H])([2H])C(n1c(\C=C\[C@H](O)C[C@H](O)CC(=O)O[Na])c(-c2ccc(F)cc2)c2ccccc12)C([2H])([2H])[2H] T10128
CC(C)n1c(\C=C\[C@H](O)C[C@H](O)CC(=O)O[Na])c(-c2ccc(F)cc2)c2ccccc12 T10129
[O-]C(C[C@@H](O)C[C@@H](O)/C=C/C1=C(C2=CC=C(F)C=C2)C3=C(C=CC=C3)N=C1C4CC4)=O.[1/2].[Ca+2] T10130
CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@H](O)CC(O)=O)N(C)S(C)(=O)=O T10131
[O-]C(C[C@@H](O)C[C@H](O)/C=C/C1=C(C2=CC=C(F)C=C2)C3=C(C=CC=C3)N=C1C4CC4)=O.[1/2].[Ca+2] T10132
Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)nc1N T10133
CCCCC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(O)=O T10134
CC(=O)Nc1ccc(OC(C)=O)cc1 T10135
[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@H](CC(=O)O1)OC(C)=O)OC(=O)C(C)(C)CC T10136
COc1ccc2[nH]c(nc2c1)S(=O)Cc1ncc(C)cc1C T10138
CCn1c2nc(\C=C\c3ccc(O)c(OC)c3)n(C)c2c(=O)n(CC)c1=O T10139
CCN(CC)c1ccc(C=O)cc1 T10140
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@](CO)(O1)C#C T10141
N[C@@H](Cc1ccc(cc1)C#C)C(O)=O T10142
C\C(=N/O)c1ccc(O)cc1 T10143
[2H]C([2H])([2H])NCC[C@@H](Oc1ccc(O)cc1C)c1ccccc1 T10144
CNCC[C@@H](Oc1ccc(O)cc1C)c1ccccc1 T10145
COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC=C(C)C T10146
CCC1(NC(=O)N(C)C1=O)c1ccc(O)cc1 T10147
CCCCCC(O)\C=C\C=O T10148
Cl.[2H]C([2H])([2H])C([2H])(NCC(O)COc1ccc(O)c2ccccc12)C([2H])([2H])[2H] T10149
Cl.CC(C)NCC(O)COc1ccc(O)c2ccccc12 T10150
O=C(C(C)(C)N1CC)N(C2=CC=C(N3CCN(C4=CC=C(O)C=C4)CC3)C=C2)C1=S T10151
CNc1c(C)n(C)n(-c2ccccc2)c1=O T10152
Cl.CNc1c(C)n(C)n(-c2ccccc2)c1=O T10152L
COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O T10153
Cc1c(noc1C(F)(F)F)-c1ccc(s1)C(=O)N1CCC(CC1)C#N T10154
OC(=O)Cc1csc(SCC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1 T10156
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)cc[n+]1[O-] T10157
NC(=O)c1ccn2C(SCc12)c1cccnc1 T10159
c12c(c(c(c(c2C)C)OC(=O)C)C)CC[C@](O1)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C T1016
Cn1c(nnc1C(C)(C)Oc1c(F)cc(F)cc1F)-c1ccc(F)cc1Cl T10160
Cc1ccc2[nH]c(=O)c3c(oc(cc3=O)C(O)=O)c2c1 T10161
Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCCn2c13 T10162
COc1ccc(cc1OC)-c1cc(=O)c2c(O)cc(O)cc2o1 T10163
Oc1cc2cc[nH]c2cc1O T10164
Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O T10165
Cl.Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O T10165L
Cc1c2OC(C)(CN3CCC(CC3)c3ccccc3)Cc2c(C)c(N)c1C T10166
[H][C@@]12CC[C@H]([C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@]12C T10167
COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1 T10168
CN1CCN(CC1)S(=O)(=O)CCCN1CCC(CNC(=O)c2cccc3OCCOc23)CC1 T10169
FC(F)(F)COCC(F)(F)F T1017
Clc1ccccc1CN1CCN(CC1)c1cccc2[nH]ccc12 T10170
OC(=O)c1cnc(O)cn1 T10171
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(I)cc12 T10172
Clc1ccc(s1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O T10174
CC(CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)\C)=O.[(E)].[(E)].[(E)] T10175
O=S(C1=CC=CC=C1)(NN(C/2=O)C(SC2=C/C=C/C3=CC=CO3)=S)=O T10177
O[C@@H]([C@H]([C@H](N1C=NC2=C1NC(N)=NC2=O)O3)O)[C@H]3COP(O)(OP(OP(O[Na])(O[Na])=O)(O[Na])=O)=O.[xH2O] T10178
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 T10180
O[C@@]12[C@]3([C@@H](O4)[C@H](O)CC2)C5=C4C(O)=CC=C5C[C@H]1N(C([2H])([2H])/C([2H])=C([2H])/[2H])CC3.[H]Cl T10181
CCc1oc2cc(O)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 T10182
COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1 T10183
Cc1nc(N)nc(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T10184
O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O T10185
OC(=O)c1ccc2nc(CBr)c(CBr)nc2c1 T10186
O=C(Nc1ncc(s1)N1CCOCC1)[C@H]1CCN(C1)C#N T10188
CCCCOc1cc2C(=O)OC(O)Cc2c(C=O)c1OC T10190
[Na+].Oc1cc(nc2cc(Cl)ccc12)C([O-])=O T10191
OC(=O)c1cc(O)c2ccc(Cl)cc2n1 T10191L
CC(=O)NCCc1cc(O)cc2ccc(O)cc12 T10192
CC(=O)NCCc1cccc2ccc(O)cc12 T10193
Cn1cnc2nc(N)[nH]c(=O)c12 T10194
COc1cc2ccc(=O)oc2cc1OC\C=C(/C)CCC=C(C)C T10195
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C T10196
CCC(C)C(=O)OCC1(CO1)c1ccc(C)cc1OC(=O)C(C)C T10197
CCC(=O)NC1CCc2cccc(OC)c2C1 T10198
[O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21 T10199
Cl.Cc1c2[nH]c3ccc(O)cc3c2c(C)c2cnccc12 T10200
COc1ccc(Cn2c(C)nc3c(C)nc(Cl)nc23)cc1OC1CCCC1 T10201
COc1ccc2c(NC(=O)Nc3cccc(n3)C(F)(F)F)ccnc2c1 T10202
OC(=O)c1ccccc1NC(=O)N1CCC(CC1)c1ccccc1C(F)(F)F T10203
CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 T10205
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 T10206
Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl T10207
CC(N(O)C(N)=O)c1ccoc1 T10208
CCCCOc1ccc(cc1Cl)-c1cncc(c1)C(=O)NCc1cccnc1N1CCOCC1 T10209
Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 T1021
O=C(C1=NC=C(C2=C(C)N=C3C(OCC4=CC=C(C5=CC=CC=C5)C=C4)=CC=CN32)C=C1)NCC.[H]Cl T10211
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3c[nH]c4ccccc34)ncnc12 T10212
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCSc2nccc(=O)[nH]2)CC1 T10213
OC(=O)c1cn(-c2ccc(F)cc2)c2nc(N3CCNCC3)c(F)cc2c1=O T10214
Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1 T10215
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F T10220
Cl.CNCc1cn(c(c1OC)-c1ccc(F)cc1F)S(=O)(=O)c1cccc(F)c1 T10221
CNCc1cn(c(c1OC)-c1ccc(F)cc1F)S(=O)(=O)c1cccc(F)c1 T10221L
COc1ccc(Br)cc1CNC12CC3CC(CC(C3)C1)C2 T10222
Cl.CN1CCC[C@H]1c1cc(C)no1 T10224
[H][C@@]12CN[C@]1([H])CN(C2)c1cnc(Cl)c(Cl)c1 T10226
CC(=O)NCC(=O)N1CCC[C@@H]1B(O)O T10227
CCCC(NC1=CC=C(OCC(O)CNC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])C(C(C)=O)=C1)=O T10229
[Na+].COC1(NC(=O)Cc2cccs2)C2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O T1023
[2H]C([2H])([2H])C(=O)Nc1nnc(s1)S(N)(=O)=O T10231
[H][C@]12CC[C@]3([H])[C@]([H])([C@H](O)C(=O)[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@@H](C2)OC(C)=O T10233
COc1nccnc1N(C(C)=O)S(=O)(=O)c1ccc(N)cc1 T10234
[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@H](CC(=O)O1)OC(C)=O)OC(=O)[C@@H](C)CC T10235
OC(=O)C(F)(F)F.CC(C)(N)[C@H](NC(=O)c1ccc(cc1)C#CC#C[C@@H]1C[C@H]1CO)C(=O)NO T10236
CC(C)(N)[C@H](NC(=O)c1ccc(cc1)C#CC#C[C@@H]1C[C@H]1CO)C(=O)NO T10236L
Cl.Nc1nc(cc(C2CCNCC2)c1C#N)-c1c(O)cccc1OCC1CC1 T10237
CC1=C([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 T10239
FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl T1024
CC#CC(=O)NCCCC(=O)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 T10240
[2H]c1c([2H])c(c([2H])c([2H])c1\C(=C/CN1CCCC1)c1cccc(\C=C\C(O)=O)n1)C([2H])([2H])[2H] T10241
Cc1nc(C(=O)Nc2cnn(Cc3nc(co3)C(C)(F)F)n2)c(o1)-c1cccc(C)c1 T10242
Clc1ccc(CNc2nc3ncn(CCN4CCOCC4)c3c(=O)[nH]2)cc1Cl T10243
ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 T10244
Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1cccs1 T10245
[Na+].COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C([O-])=O T10246
Cc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(c1)C#N T10248
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1 T10249
Cl.N[C@@H]1C[C@H]1c1ccccc1 T1025
Cl.C[C@H](c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N T10250
Cc1ccc(O)c(NCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 T10253
[2H]C([2H])([2H])N(C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1)C([2H])([2H])[2H] T10256
Cc1c(F)c(N)c2c(oc(cc2=O)-c2ccc(NC(=O)[C@@H](N)CCCCN)c(F)c2)c1F T10258
O=c1c(c[nH]c2c(c(nn12)-c1ccccc1)-c1ccccc1)-c1ccc2ncccc2c1 T10259
Cl.NCc1ccc(cc1)S(N)(=O)=O T1026
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC T10260
CCOc1c(Br)cc(cc1C(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(O)=O T10261
CC1(C)CCC(C)(C)C2=C1C=CC(/C(C3=CC4=CC(C(O)=O)=CC=C4N3)=N\O)=C2 T10262
Cc1ccc(cc1)C1=CCC(C)(C)c2cc(ccc12)\C(\C=C\c1ccc(cc1)C(O)=O)=N\O T10263
Cc1c(Nc2ncc[nH]2)ccc2OCCOc12 T10264
CC1(C)CCC(C)(C)c2cc(C(=O)Nc3cc(F)c(C(O)=O)c(F)c3)c(O)cc12 T10265
[2H]C([2H])([2H])Oc1ccc2cccc(CCNC(=O)C([2H])([2H])[2H])c2c1 T10266
O[C@H]([C@@H](O)C(O)=O)C(O)=O.COc1ccc2cccc(CCNC(C)=O)c2c1 T10267
CCC(=O)N(CCC(c1ccc2OCOc2c1)c1ccccc1OC)Cc1ccccc1 T10268
C[C@@H](CO)NC(=O)c1cc(nc(n1)-c1cccnc1)-c1ccc(OC(F)(F)F)cc1 T10269
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 T1027
C[C@@H](CO)NC(=O)c1cc(nn(-c2cnn(C)c2)c1=O)-c1ccc(Cl)cc1 T10270
O[C@@H](CNC(=O)c1cc(nn(-c2cccnc2)c1=O)-c1ccc(OC(F)(F)F)cc1)C(F)(F)F T10271
Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c21 T10273
CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N T10276
Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 T10277
[H][C@@]12CC[C@H]([C@H](C)CCCC(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T10279
COc1nc(C)nc(Cl)c1N=C1NCCN1 T1028
[2H]C([2H])([2H])N(CC(C)CN1c2ccccc2Sc2ccccc12)C([2H])([2H])[2H] T10280
CC(CN(C)C)CN1c2ccccc2Sc2ccccc12 T10281
C[C@H](Oc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)C(=O)N1CCO[C@@H](C)C1)c1ccc(F)cn1 T10283
CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O T10287
[2H][13C]([2H])([2H])n1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O T10288
OC(=O)\C=C/C(O)=O.Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C T10289
C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O T1029
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1CCN1CCN(CC1)c1ccccc1 T10290
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(O)=O)c1ccccc1 T10291
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F T10292
C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 T10293
OC1=C(C2=[N+](C)C(C=CC=C3)=C3N2C)C(O)=CC(C(C)(C)CCCCCC)=C1.[Br-] T10294
[Br-].CCCCCCCCCC[N+](C)(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2 T10295
Cl.Cl.Cl.NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 T10296
O=C1N(C)C(NCC(N)CC2=CC=CC=C2)=NC(C3=CC=NC=C3)=C1C4=CC=C5C=CC=CC5=C4.Cl T10298
Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O T10298L
O.Cl.Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 T1030
C[C@H](NC(=O)N1CCc2cccnc2[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F T10300
Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 T10302
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T10303
Nc1ccc2OC(CCCl)NC(=O)c2c1 T10304
Cl.CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F T10305
OC([C@@H]1N(C2=O)[C@]([C@@H]2NC([C@@H](C3=C([2H])C([2H])=C(O)C([2H])=C3[2H])N)=O)([H])SC1(C)C)=O T10306
Cc1cc(cc2CC(=O)Nc12)-c1c(Cl)cccc1OC(F)(F)F T10307
C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccccc12 T10308
Nc1[nH]c2ccc(Sc3ccccc3)cc2c1C#N T10309
O.[Na+].Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O)-c1ccccc1Cl T1031
NCc1ccc(Oc2ccc3COB(O)c3c2)c(Cl)c1 T10315
CCCCOC(=O)c1ccc(Oc2ccc3B(O)OCc3c2)nc1 T10316
CC1(C)[C@H](NC(=O)c2cnn(CCO)c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 T10320
[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1CC=CC(=O)O1)OC(=O)C(C)(C)CC T10324
Clc1ccc(cc1Cl)C(=C\c1ccc[nH]1)\C#N T10325
[H][C@]12CC3=C(COC(\C=C\C)=C3)C(=O)[C@]1(C)OC(=O)[C@@H]2C(=O)CCCCCCC T10327
O=C(C1=CC=C(OC[C@H](O)CN2N=CN=N2)C=C1)N(CC3)C[C@H]3C4=CC=C(F)C=C4 T10328
COc1ccn2nc(C)c(C(=O)NCc3ccc(cn3)-c3ccc(OC(F)(F)F)cc3)c2c1 T10329
CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(cs1)C(O)=O T10330
CCN(CC)CCNc1ccc(CN)c2sc3ccccc3c(=O)c12 T10331
CCN1CCn2c3C1CCCc3c1cc(Br)ccc21 T10332
Cn1c2c(C(=O)C(Nc3ccc(Cl)cc3)=CC2=O)c2cc(O)ccc12 T10333
Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 T10335
OP(O)(O)=O.CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C T10336
[Br-].CCCCCCCCCCCC[n+]1ccc(cc1)C(O)=O T10337
Cl.CN(C)CCC(=O)c1ccc(Cl)c(Cl)c1 T10339
O=C1NC(=O)C(=Cc2cn(CCC#N)nc2-c2ccccc2)C(=O)N1 T10340
Cn1cc(cn1)-c1cccc2[nH]c3CCC(Cc3c12)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F T10341
O=C(CNC(=O)c1cccc2ccccc12)Nc1ccccc1Oc1ccccc1 T10343
Cl.O=C(NCc1ccc2OCOc2c1)[C@H]1Cc2c(CN1)sc1ccccc21 T10344
NCCCOC(=O)NC(Nc1ncccn1)C(Cl)(Cl)Cl T10345
COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(F)cc2C#N)nnc1-c1ccco1 T10346
[2H][13C]([2H])([2H])Oc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O T10349
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O T10350
Cc1[nH]c2ccc(F)cc2c1-c1nc2c([nH]1)c1cccnc1c1ncccc21 T10352
CCCc1c([nH]n(-c2ccccn2)c1=O)-c1ccccc1 T10353
Cl.CCCc1c(O)n(nc1-c1ccccc1)-c1ccccn1 T10354
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(NC(C)=O)cc3)c2c1 T10355
Cl.Cl.CCN(CC)CCCNc1ccnc2cc(Cl)ccc12 T10356
OCC1=CC=C([C@@H](CN)C(NC2=CC(C=CN=C3)=C3C=C2)=O)C=C1 T10358L
N#CC1=CC=C(O[C@H]2C(C)(C)[C@H](N)C2(C)C)C=C1Cl T10359
CN1CCN(CC1)c1ccc(C)c2CC[C@H](Cc12)NC(=O)c1ccc(cc1)N1CCOCC1 T10360
N#CC1=NC=C(C(N2CCC3(NC4=C(C(F)=CC=C4F)C(N)=N3)CC2)=O)C=C1.[H]Cl T10361
O=C(O)[C@H](CSC/C=C(C)/CC/C=C(C)/CC/C=C(C)\C)NC(C)=O T10363
O[C@@H](CNCCCCc1ccc(O)cc1)c1ccc(O)c(O)c1 T10364
N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O T10366
CC(O)=O.OC[C@@H](C(O)=O)NC([C@H](CC(O)=O)NC(CNC([C@H](CCCNC(N)=N)N)=O)=O)=O T10366L
N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O T10367
[2H]C1([2H])N(CCCCOc2ccc3CCC(=O)Nc3c2)C([2H])([2H])C([2H])([2H])N(c2cccc(Cl)c2Cl)C1([2H])[2H] T10368
Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O T10369
N12C(=C([C@@H]([C@@H]2[C@H](C1=O)[C@@H](C)O)C)S[C@H]1C[C@H](NC1)CNS(=O)(=O)N)C(=O)O.O T1037
C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1 T10370
CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O T10371
Nc1ncc2C[C@@H](c3ccccc3)c3ccccc3-c2n1 T10372
CON(C)C(=O)N1N=C(S[C@]1(CCCN)c1ccccc1)c1cc(F)ccc1F T10373
Oc1cccc(F)c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)C=C T10375
C=CC(N1CCN(C2=C3C=C(Cl)[C@@]([C@@]4=C(O)C=CC=C4F)=C(F)C3=NC=N2)CC1)=O.[R] T10376
[H][C@@]12C[C@@H]3C[C@@H](C[C@@]([H])(C3)C11OO[C@@]3(CC[C@@H](CC3)c3ccc(OCCN4CCOCC4)cc3)O1)C2 T10377
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OCc1ccc(cc1)C(O)=O)[C@@H]2C)O4 T10378
Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O T1038
CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)nn(C)c1C T10380
COc1cc2c(cn(-c3noc4ccc(C)cc34)c(=O)c2cc1OC)C(=O)N1CCCCC1 T10381
Cc1nc2ccc(cc2[nH]1)-n1c(nc2cnccc12)-c1nonc1N T10382
[H][C@]12[C@H]3C(CC=C)=C[C@](OC)(C(=O)C3(OC)OC)[C@@]1(CC=C)C=C(OC)C(=O)C2(OC)OC T10383
COc1cccc(c1)-c1cc(F)c(Nc2ncccc2C(O)=O)c(F)c1 T10384
C[C@H](Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1)C(F)(F)F T10385
N[C@@H](CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T10386
OC(=O)C1CSSC1 T10388
C[C@@H]1NC(=O)[C@H](CC(O)=O)NC1=O T10389
[Cl-].C[N+](C)(C)CCO T1039
C\C1=[O]\[Al+3]2([OH-])([O-]C(=O)c3ccccc3O1)[O-]C(=O)c1ccccc1O\C(C)=[O]/2 T10391
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N([C@@H](C(N)=O)c1ccc(O)cc1)C(=O)[C@@H](CC(N)=O)NC)C(O)=O T10392
OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2cscc12 T10393
C1CCN(CC1)c1nc(N\N=C2/CN3CCC2CC3)nc(Nc2ccccc2)n1 T10394
CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 T10396
CC(C)C1(O)OC(O)(c2ccc(F)cc2)C2(OC12C(=O)Nc1ccccc1)c1ccccc1 T10402
Clc1ccc(s1)S(=O)(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 T10404
CC(C)(C)c1o[nH]c(=O)c1CC(N)C(O)=O T10405
Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 T10406
FC(F)(F)c1cccc(Nc2ncnc3CCN(Cc23)C(=O)N\N=C\c2ccc(Cl)cc2)c1 T10409
[Na+].OC(Cc1cccnc1)(P(O)(O)=O)P(O)([O-])=O T1041
Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1F T10411
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1 T10412
CCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)Nc1nc2CCN(Cc2s1)C(=O)OC(C)(C)C T10413
O=C(Cc1nnc(o1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2nn[nH]c2C1 T10415
O=C(Cc1nc(no1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2nn[nH]c2C1 T10416
Cl.CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12 T1042
COc1c(N2CCC\C(C2)=C(/F)CN)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 T10420
OC(=O)c1ccc(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c(OC(F)(F)F)c1 T10421
[H][C@]12CN([C@@H](CC1)C(N)=O)C(=O)N2OS(O)(=O)=O T10422
C[C@H]1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1 T10423
CC[C@@H](C)Nc1nc(Nc2cc(cnc2F)N2C[C@@H]3C[C@H]2CN3C)ncc1C T10424
CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 T10425
C1(C2=NC=CC=C2)=NC(N3C=CC4=C3C=CN=C4)=C(CCC5)C5=N1 T10426
COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C T10429
Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1 T1043
C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1cc(on1)-c1cccc(Cl)c1 T10430
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 T10431
Cc1cc(cc2CN(Cc3ccc(OC(F)(F)F)cc3)C(=O)c12)-c1nc(CN2CCNCC2)no1 T10432
O=C(C1=CN2C(C(NCC3=C(C)C=CC=C3C)=C1)=NC(C)=C2C)NCCO T10435
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 T10436
O=C([C@@H]1C[C@H](NC(C)=O)CCC1)NC2=NC=C(Cl)C(C3=C(CC(C)(C)C4)N4N=C3)=C2.[H]Cl T10436L
C[C@H]1C[C@](O)(CCO1)c1csc(Sc2ccc3N(C)C(=O)Cc3c2)c1 T10438
Cc1[nH]c(C)c(Cl)c(=O)c1Cl T1044
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1 T10440
NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl T10441
S=C(N1N=C(C2=NC(C)=CC=C2)C(C3=CC=NC4=CC=CC=C34)=C1)NC5=CC=CC=C5.[Na+] T10442
O=C(C1=NC=C(C2=C(C)N=C3C(OCC4=CC=C(C5=CC=CC=C5)C=C4)=CC=CN32)C=C1)NCC T10443
CN(C)CCn1c2ccccc2c2nc3cc(C)c(C)cc3nc12 T10445
Clc1cccc(NC(=O)C2C3CCCCC23)c1 T10446
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OC(C)OC(=O)OCC T10448
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F T10449
OC(=O)\C=C/C(O)=O.CC(CN(C)C)CN1c2ccccc2CCc2ccccc12 T1045
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F T10450
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F T10451
O=C(C1=NC=C(OCF)N=C1)NC2=CC=C(F)C([C@@]3(C)N=C(N)S[C@H](C(F)(F)F)C3)=C2 T10453
Cn1cnc2c(OCc3ccccc3Cl)nccc12 T10456
[2H]C([2H])([2H])N(=O)(CCNc1ccc(NCCN(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c2C(=O)c3c(O)ccc(O)c3C(=O)c12)C([2H])([2H])[2H] T10458
Cl.CC(N)COc1c(C)cccc1C T1046
COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F T10460
[Na+].CNC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)C(CSc1cccs1)C(=O)N[O-] T10461
Cl.Cl.O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1 T10462
O.Cl.Cl.O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1 T10462L
N=[S@](CC1=CC(NC2=NC(C3=CC=C(F)C=C3OC)=NC=N2)=CC=C1)(C)=O T10464
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1 T10464L
N=[S@@](CC1=CC(NC2=NC(C3=CC=C(F)C=C3OC)=NC=N2)=CC=C1)(C)=O T10465
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1 T10466
CN1N=CC=C1C2=CC(N3[C@@H](COCC3)C)=NC4=C(N=CC=C24)C5=CC=NN5.[H]Cl T10468
O=C(N1[C@@H](C2=CC=C(Cl)C=C2)C3=C(N=CC=C3)CC1)NC4=CC=C(OC5=CC=C(F)C=C5)C=C4 T10469
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CNC[C@H](O)c1ccc(O)c(O)c1 T1047
Oc1cccc(OCC2CC2)c1-c1cc([C@H]2CCCNC2)c2COC(=O)Nc2n1 T10472
Oc1cccc(OCC2CC2)c1-c1cc([C@@H]2CCCNC2)c2COC(=O)Nc2n1 T10472L
CC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccc(nc1)C#N)c1cccc(c1)C(F)(F)F T10473
CC(=O)C1=C(C)N(C(=O)N[C@H]1c1ccc(nc1)C#N)c1cccc(c1)C(F)(F)F T10473L
O=C(N1[C@@H](C2=CC=C(F)C=C2)C3=C(N=CC=C3)CC1)NC4=CN=C(OC5=CC=C(F)C=C5)N=C4 T10476
[H][C@]12CN(C[C@@]1([H])NCCC2)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1 T10478
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] T1048
COC(=O)C1=C(C)N=C(N[C@@H]1c1ccc(F)cc1Cl)c1ncc(F)cc1F T10480
COC(=O)C1=C(C)N=C(N[C@H]1c1ccc(F)cc1Cl)c1ncc(F)cc1F T10480L
CC(Cc1nc(=O)c2cnn(-c3ccccc3Cl)c2[nH]1)C(F)(F)F T10481
C[C@H](Cc1nc(=O)c2cnn(-c3ccccc3Cl)c2[nH]1)C(F)(F)F T10481L
ClCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)c1nc2ccccc2[nH]1 T10482
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N[C@H](C3=NC4=CC=CC=C4N3)CCCNC(CCl)=N.Cl T10482L
O=C1\C(=C\c2ccccc2)C(NC2CCCCC2)c2ccccc12 T10486
O=C1/C(C(NC2CCCCC2)C3=C1C=CC=C3)=C/C4=CC=CC=C4.Cl.[(E)] T10486L
NCCCn1ccc2c(cccc12)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1 T10488
Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 T1049
[H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](C)NC2=O T10490
Nc1ncnc2c(c[nH]c12)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O T10491
Cl.Nc1ncnc2c(c[nH]c12)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O T10491L
C[C@@H](O)CCOC(=O)C[C@@H](C)O T10492
[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T10494
O=C(C1=CC=C(F)C(Cl)=C1)N2CCC(CNCC3=NC=C(C)C=C3)(F)CC2.Cl T10495
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1 T10495L
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1 T10496
Nc1ccc(cc1)C(=O)N(CCN1CCC(CC1)C(=O)c1ccccc1)c1cccnc1 T10498
C[C@@H]1CN(CCN1C(=O)[C@H]1C[C@@H]1c1ccc(cc1)C(N)=O)C1CCC1 T10499
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 T1049L
Cl.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 T1050
CNC(=O)c1ccc(cc1F)N1C[C@H](CNC(C)=O)OC1=O T10500
CN(C)CCCOC1(Cc2ccccc2)CCCCCC1 T10502
Oc1ccc(cc1)[C@H]1Cc2ccccc2[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 T10503
CCCCCCN(CCc1ccccc1)C(=O)COc1ccc(CC(OCC)C(O)=O)cc1 T10505
CO[C@@H](Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O T10506
CC#C[C@@H](CC(O)=O)c1ccc(OCC2=CCCC3(CCCCC3)C2)cc1 T10507
Cc1c(C)c2nc(NCc3ccc(cc3)S(N)(=O)=O)sc2c(C)c1O T10508
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(F)c(F)cc12 T10509
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O T1051
CC(N1CCN(C(C1)c1ccc(Cl)cc1)c1ccc(cc1Cl)C#N)c1ccc(cc1)C#N T10510
Cl.CS(=O)(=O)Nc1ccc(cc1)C(O)CNCC1CCc2ccccc2C1=O T10511
Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccccc3)c2)CC1=O T10512
NNC(=S)c1ccccc1 T10513
Cc1ccc2CCCc3nc([nH]c3-c2c1)-c1cccnc1 T10514
COc1cc2sc(cc2c(F)c1OC)C(=N)NO T10515
CC1=NN=C2N1C3=CC=CC=C3C(C4=CC=C(Cl)C=C4)=C[C@@H]2CC5=NN=C(C)O5 T10517
Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 T10518
COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 T10519
CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1 T1052
C[C@H](Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CC3)c2c1)c1ccc(C)cc1C T10520
COc1cc2n(Cc3ccccn3)c(=O)c(C)cc2cc1-c1c(C)noc1C T10521
O=C(O)CCC1=CC2=C(C=CC(N(C3=O)C)=C2C3=C1)NS(=O)(C4=CC=CC=C4OC)=O T10522
Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 T10523
O=C(C1=C(C)N(CC2=CC=CC(C(F)(F)F)=C2)C=N1)NC3=NN(C)C=C3 T10525
[2H]C([2H])([2H])N(\N=C\c1ccc(cc1)C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1)C([2H])([2H])[2H] T10527
[2H]c1c([2H])c(c([2H])c([2H])c1C(O)=O)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C T10528
CNc1ccc(\C=C\c2nc3ccc(OCCF)cc3o2)cc1 T10529
Cl.CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1 T1053
CN(C)c1ncc(\C=C\c2nc3ccc(OCCF)cc3o2)s1 T10530
COc1cc2N=CN\C3=N/c4cc(Br)ccc4CN(C)CCCCCOc1cc23 T10531
CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C T10532
Nc1ccc(nn1)C1CCN(CC1)C(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1 T10537
Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12 T10538
Cl.Cl.Cl.Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12 T10538L
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 T1054
O[C@H]([C@](NC1=O)(OCCC2=C)C(N[C@]12O)=O)[C@@](C)(O)COC(C3=CC=CC=C3)=O T10541
O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1 T10542
O=C(NC([2H])([2H])C([2H])([2H])[2H])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C[C@@H]1O T10544
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O T10547
CC(O)=O.Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12 T10549
ClCCNP1(=O)OCCCN1CCCl T1055
Cl.Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CN)CCn3c3ccccc23)c2ccccc12 T10550
Oc1c(Cl)cc(Cl)cc1S(=O)c1cc(Cl)cc(Cl)c1O T10551
COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)=O T10554
CC1(C)Oc2c(C=O)cc(CCn3c4ccccc4c4ccccc34)cc2C=C1 T10555
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12 T10556
CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C T10557
FC1=CC=C(C2=C(CCCCCC3)C3=NC(N4CCN(C([2H])([2H])C([2H])([2H])[2H])CC4)=C2)C=C1 T10558
FC1=CC=C(C2=C(CCCCCC3)C3=NC(N4C([2H])([2H])C([2H])([2H])N(CC)C([2H])([2H])C4([2H])[2H])=C2)C=C1 T10559
Cl.CC(C)NCC(O)c1ccc(O)c(O)c1 T1056
O=C(OC)N1C[C@@H](CCC1)CC2=C(N=C3C=C(C=CN32)C)C4=C(C=C(C=C4F)C(NC)=O)F T10560
Cc1oc(nc1CCOc1ccc(CC2SC(=O)NC2=O)cc1)-c1ccccc1 T10561
CC(=O)N[C@H]1CC[C@@H](CC1)O[N+]([O-])=O T10562
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1-c1ccc(F)cc1 T10563
CC(C1=CC=C(C2=CC(CN3CCOCC3)=C(C)N2C4=CC=C(F)C=C4)C=C1)C.[H]Cl T10563L
CC(C1=CC=C(C2=CC(CN3CCOCC3)=C(C)N2C4=CC=C(F)C=C4)C=C1)C.OS(=O)(C)=O T10563L2
O=C1NN=C2C3=C1C=C(F)C=C3N[C@@H](C4=CC=C(F)C=C4)[C@@H]2C5=NC=NN5C T10564
CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(Cc1ncc[nH]1)c1ccc(Cl)cc1)C#N T10566
O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1 T10567
CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 T1057
CC(C)n1nnc(n1)-c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 T10571
CC(C)C[C@](C)(N)COc1ccc-2c(OCc3cnc(NC(C)=O)cc-23)c1 T10572
FC(F)(F)c1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 T10573
CN(C)Cc1ccc(CSCCNc2ns(=O)nc2N)o1 T10575
Cc1c(F)c(nc2n(cc(C(O)=O)c(=O)c12)-c1ccc(F)cc1F)N1CC[C@H](N)C1 T10576
[NaH].[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(SC(=S)N(C)CCO)[C@H](C)[C@]12[H] T10579
N.N.[Pt++].[O-]C(=O)C1(CCC1)C([O-])=O T1058
COC(=O)CC(NC(=O)OC(C)(C)C)C(=O)CF T10580
C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N T10582
CCCCCC\C=C\C=C/CCCCCCCC(O)=O T10584
Cn1cc2cc(c(F)cc2n1)C(F)(F)c1nnc2ccc(nn12)-c1cnn(c1)C1CC1 T10585
Fc1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc(Oc3ccnc4NCCc34)c(F)c2)c1=O T10588
COc1nc(ccc1-n1cnc(C)c1)-c1cc(C)c(N[C@@H](C)c2ccc(F)cc2)nn1 T10589L
OC(=O)Cc1ccc(Cc2cc(nc(c2)C(F)(F)F)-c2cccc(Cl)c2)cc1 T10590
CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1 T10593
O=[V+3]12([N]3=CC=C4)([O-][O-]1)([O-][O-]2)[N]5=C6C3=C4C=CC6=CC=C5.[K+] T10594
CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO T10597
CC(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cccnc2)c1F T10599
CC1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O T1060
CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O T10602L
CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 T10603
CN1C[C@@H](C[C@@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C T10604
CC[C@@]1(C2=CNNC2=NC2=C1C(=O)CC(C)(C)C2)c1ccccc1 T10606
CC[C@]1(C2=CNNC2=NC2=C1C(=O)CC(C)(C)C2)c1ccccc1 T10608
Cc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)-n1c(=O)[nH]c(=O)n(C)c1=O T1061
[2H]C1([2H])N(CCCCOc2ccc3ccc(=O)[nH]c3c2)C([2H])([2H])C([2H])([2H])N(c2cccc3sccc23)C1([2H])[2H] T10610
O=S1C=CC2=C(N3C([2H])([2H])C([2H])([2H])N(CCCCOC4=CC=C(C=CC(N5)=O)C5=C4)C([2H])([2H])C3([2H])[2H])C=CC=C21 T10611
O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4c3ccs4=O)cc2[nH]1 T10612
[Na+].CC(Cc1ccc(OCC([O-])=O)cc1)NCC(O)c1cccc(Cl)c1 T10613
[H][C@]12SC=C(N1C(=O)\C2=C\c1cn(C)nn1)C(=O)O[Na] T10614
Nc1nc(=O)c2ncn(OCCCO)c2[nH]1 T10615
OCc1cnc(F)cc1NC(=O)Nc1cc(ns1)C(F)F T10616
COc1cc(Br)c2oc(cc2c1)C1CCNCC1 T10617
CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2NC(C)=O)C(O)C(O)C1O T10619
COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O T1062
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 T10620
COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(Cl)cc3)c2c1)C(C)=O T10621
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C T10622
O=C(CF)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C T10623
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCNC1 T10625
NC1=C2C(N(C3CNCCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1.[H]Cl T10625L
Cl.Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCNC1 T10625L2
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCNC1 T10626
C=CC(=O)Nc1cccc(Oc2ncnc3[nH]c(cc23)-c2ccc(cc2)N2CCOCC2)c1 T10627
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C T10629
CC1(S[C@@H]2[C@H](C(N2[C@@H]1C([O-])=O)=O)NC(C(c3cscc3)C([O-])=O)=O)C.[Na+].[Na+] T1063
CCN(CCCCOc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1 T10630
CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N T10631
CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O T10632
[2H]c1c([2H])c([2H])c(Oc2c(NCCCC)cc(cc2S(N)(=O)=O)C(O)=O)c([2H])c1[2H] T10633
CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12 T10634
Oc1ccc2C(=O)CC(Oc2c1)c1ccc(O)c(O)c1 T10637
Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 T10638
O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC[C@H](O)c1ccc(O)c(O)c1 T1064
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)N1CCCCC1 T10643
Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12 T10644
CCn1cc(cn1)-c1cc(Oc2ccc(nc2C)-n2nc([nH]c2=O)C(C)(C)C)ccn1 T10645
CSc1ccn2c(cnc2c1)C(=O)Nc1cccc2n(Cc3cccc(C)n3)nc(C3CC3)c12 T10646
CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCO)ccn2)cc1 T10647
Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-n1[nH]c(nc1=O)C(C)(C)C T10648
CC1CCN(CC1)c1cc(ccc1NC(=O)c1cc(c[nH]1)C#N)N1CCN(C)CC1 T10649
NCC(CC(O)=O)c1ccc(Cl)cc1 T1065
CC(C)Nc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)n1C T10652
CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1 T10654
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4nn(C)cc4c3)n2n1 T10655
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O T10656
CCCCCCCCC1OC(=O)C(=C)C1C(O)=O T10657
CCCn1cnc2c(NCc3ccccc3)nc(N[C@H](CC)CO)nc12 T10659
Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 T1066
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1C T10660
Cl.C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1C T10660L
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1C T10660L2
[H][C@@]12CC[C@H]([C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T10661
[H][C@@]12CC[C@H]([C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T10663
[Ca++].[O-]C(=O)CCC(=O)C([O-])=O T10664
CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(OCC#C)cc12 T10665
Cl.C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12 T10666
c1csc(n1)-c1c[nH]c2ccccc12 T10668
[2H]c1c([2H])c(c([2H])c([2H])c1F)-c1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1 T10669
[2H]c1c([2H])c(c([2H])c([2H])c1Cn1c(OCC)nc2cccc(C(O)=O)c12)-c1ccccc1-c1nn[nH]n1 T10670
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O T10673
Cc1cc(nc(C)c1NC(=O)OCc1ccccc1)N1CCOCC1 T10674
COC(=O)Nc1nc2ccc(cc2[nH]1)C1(O)N(Cc2ccccc2)C(=O)c2ccccc12 T10675
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)N1CCN(CC)CC1 T10676
Nc1ccn([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 T10677
COc1ccc(SC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc1 T10678
[Cl-].C[N+](C)(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1 T10679
Oc1cccc2Cc3cccc(O)c3C(=O)c12 T1068
CC(C)(C(O)=O)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1 T10680
O=C(N[C@H]1CC[C@H](CCN2CCN(C3=CC=CC(Cl)=C3Cl)CC2)CC1)N(C([2H])([2H])[2H])C([2H])([2H])[2H] T10681
Cl.OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 T10683
OC([C@@H](NC([C@@H](O)CCN)=O)CC1=CNC=N1)=O T10684
OC([C@@H](NC([C@@H](O)CCN)=O)CC1=CNC=N1)=O.Cl T10684L
[H][C@]12CC[C@]([H])(OC(=O)CCCCCCC[C@]3([H])CC[C@]([H])(OC(=O)CCCCCCC1)[C@H](C)N3)[C@H](C)N2 T10685
COc1cc(O)ccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 T10686
COc1cc(Nc2ncc3ccn(-c4cccc(CCC#N)c4)c3n2)cc(OC)c1OC T10687
N#CCCC1=CC=CC(N2C=CC3=CN=C(NC4=CC(OC)=C(OC)C(OC)=C4)N=C32)=C1.Cl T10687L
Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC T1069
COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 T10690
OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 T10691
O=C([C@@H](N)C)N1C[C@H](CCCB(O)O)[C@](N)(C(O)=O)C1.Cl.Cl T10692
C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O T10692L
[H][C@@]12CC[C@H]([C@@H](C)OCCC(O)(CC)CC)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T10695
FC(F)(F)c1nc(Nc2ccccc2)ncc1C(=O)NCC1CCOCC1 T10696
[Na+].COC1(NC(=O)CSCC#N)C2SCC(CSc3nnnn3C)=C(N2C1=O)C([O-])=O T1070
[H][C@]12C[C@@]11C(=CC(=O)c3ccccc13)N(C2)C(=O)c1cc2c3CCN(C(N)=O)c3ccc2[nH]1 T10700
COc1ncc2cc3ccccc3nc2c1C#N T10704
CCCCn1c(=O)sn(CC)c1=O T10705
COC(=O)C(=C\c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O)\C#N T10706
CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(N)c2)C1=O)c1ccccn1 T10707
O=S(C1=CN=CC([C@@H](NC(C2=C(C)N(C3=CC=C(Cl)C=C3)N=C2)=O)CCC)=C1)(C)=O T10708
O=S(NC)(C1=NC=CC([C@@H](NC(C2=C(C)N(C3=CC=C(Cl)C=C3)N=C2)=O)CCC)=C1)=O T10709
CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O T1070L
CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1 T10710
CC(C)[C@@H](CN1CC(O)C1)N(C)C(=O)c1ccc(F)c(C)c1 T10712
CN(C)C(=O)c1c(C)ccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O T10716
COc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O T10718
Cl.COc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O T10718L
Cl.CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1 T10719
Cl.CNCC(O)c1ccc(O)c(O)c1 T1071L
CS(O)(=O)=O.OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 T1072
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccc(F)cc34)c21 T10720
NC(=O)c1cc(ccc1O)S(=O)(=O)Nc1ccc2cc([nH]c2c1)C1CC1 T10721
OC(=O)c1ccc(cc1)-n1nc2c(c[nH]c3c(F)cccc23)c1=O T10722
CCOC(=O)c1cccc(Nc2cc(OC)cc3ccccc23)c1 T10723
CCOC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O T10724
CC(C)OC(=O)C1=C(NN2CCOCC2)O\C(=C/c2c[nH]c3ncccc23)C1=O T10725
CC(C)OC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O T10726
CCOC(=O)C1=C(O\C(=C/c2c[nH]c3ncccc23)C1=O)N1CCc2ccc(OC)cc2C1 T10727
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O T10728
O=C(OCC1CC1)C1=C(NN2CCOCC2)O\C(=C/c2c[nH]c3ncccc23)C1=O T10729
COc1ccc(cc1OC1CCCC1)C(CC(N)=O)N1C(=O)c2ccccc2C1=O T10730
CCc1noc(n1)C1CNC=NC1 T10731
COS([O-])(=O)=O.CCOC(=O)C(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 T10732
FC(C=N1)=C(C2=CC(N(C(C)C)C(CO)=N3)=C3C(F)=C2)N=C1NC4=NC=C(C=C4)CN5CCNCC5 T10734
CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 T10735
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 T10737
COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1 T10739
NC(=O)c1[nH]cc(c1C(F)(F)F)-c1ccncc1 T10740
Cc1ccc(Nc2cc(ncn2)-c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1NS(C)(=O)=O T10741
Oc1cc(OCc2ccccc2)c(O)c2oc(cc(=O)c12)-c1ccccc1 T10742
O=C(NC1=NN(C(C2CCC2)=C1)C(OC(C)(C)C)=O)CC3=CC=C(C=C3)O T10743
Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 T10744
Cl.Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 T10744L
CC1=C2C3=C(C(Br)=C1Br)CCCN3C(N4CCNCC4)=N2.Cl T10744L2
CS(=N)(=O)Cc1cc2Nc3ncc(F)c(n3)-c3ccc(F)c(NCCCCOc(c1)c2)c3 T10747
FC1=CC=C2C(C(CCO[C@@]34CC[C@@](N(C)C)(C5=CC=CC=C5)CC4)=C3N2)=C1.[relative T10749
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O T1075
[H][C@]12SCC(CSc3nnc[nH]3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C(O)=O T10751
[H][C@]12SCC(CSc3nncs3)=C(N1C(=O)[C@H]2NC(=O)Cn1cnnn1)C(O)=O T10752
[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\c1csc(N)n1)C(O)=O T10753
Cl.[H][C@]12[C@@H](O)CCN1C[C@H](OC(=O)CCC)[C@@H](O)[C@@H]2O T10755
[H][C@]12[C@@H](O)CCN1C[C@H](OC(=O)CCC)[C@@H](O)[C@@H]2O T10755L
C1[C@@H]2CNC[C@]12c1ccc2ccccc2c1 T10758
Cl.C1[C@@H]2CNC[C@]12c1ccc2ccccc2c1 T10758L
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO T1076
COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1 T10761
COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1 T10762
CNc1nc2ccn(C)c(=O)c(Cc3cc(Br)c(OC)c(Br)c3)c2n1 T10763
CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O T10764
FC(F)(C(=O)NCc1ccc2C(=O)N(Cc2c1)C1CCC(=O)NC1=O)c1ccc(Cl)cc1 T10765
[Na+].COCc1c(nc(C(C)C)c(\C=C\C(O)CC(O)CC([O-])=O)c1-c1ccc(F)cc1)C(C)C T10767
CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(C)cc1C(O)=O T10768
[2H]C([2H])(OCC(O)=O)C([2H])([2H])N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 T10769
OC(=O)\C=C/C(O)=O.COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F T1077
[2H]C1([2H])N(CCOCC(O)=O)C([2H])([2H])C([2H])([2H])N(C(c2ccccc2)c2ccc(Cl)cc2)C1([2H])[2H] T10770
[H][C@@](C)(Nc1c(c(Cl)nc2ncnn12)-c1c(F)cc(OCCCNC)cc1F)C(F)(F)F T10772
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 T10773
COc1cc2CC(=O)NN=C(c3ccc(N)cc3)c2cc1OC T10774
CC1CCN(CC1)c1ccc(CO)cc1NC(=O)c1ccc(o1)C#N T10775
CCOC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 T10777
Cl.CCN(CC)CCNC(=O)c1cc(C#N)c(Cl)cc1OC T10779
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 T1078
[H][C@@]12CC[C@H](C(=O)NC(C)(C)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C T10780
Cl.C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O T10781
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12 T10782
Cn1c(c(CCCCCC(O)=O)c2cc(Cl)ccc12)-c1cccnc1 T10783
"O=C(C1=CC=C(Cl)C=C1)/C=C/C2=CC=C(O)C(OC)=C2.O.[F,Cl,Br,I]" T10785
Cc1nnc(CNCCN2C(=O)c3cccc4cccc(C2=O)c34)s1 T10787
CN(C)c1ccc2C(=O)N(CCNCc3nnc(C)s3)C(=O)c3cccc1c23 T10788
O=C(C1=CC=CC2=C1C3=CC=C2N(C)C)N(CCNCC4=NN=C(C)S4)C3=O.Cl[H] T10788L
Cc1ncc(n1CCO)[N+]([O-])=O T1079
C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 T10790
CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1 T10791
COc1cc(Br)cc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 T10792
N[C@@H]1CCCN(C1)c1c(Br)ccc2[nH]cc(NC(=O)C3CC3)c12 T10793
ClC(C=C1)=CC=C1C(C2=CC=CC=C2)N3CCN(C)CC3.Cl T10794
CCCCC(CC)C1NC(=O)N(SC(Cl)(Cl)Cl)C1=O T10795
CC1=C(CCCl)SC=N1.Cl T10796
Cl.Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 T10797
Cl.[2H]C([2H])([2H])N(CCCN1c2ccccc2Sc2ccc(Cl)cc12)C([2H])([2H])[2H] T10798
NCCS T1080
Nc1ncnc2n(nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C T10802
Fc1cccc(NC(=O)CC(=O)Nc2ccc3c(\C=C\c4ccccn4)n[nH]c3c2)c1 T10803
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(C)c2)c1 T10804
NC(C(=O)O[Na])c1cc(O)ccc1Cl T10808
NC(C(O)=O)c1cc(O)ccc1Cl T10809
OC(=O)C(O)=O.CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1cccc2ccccc12 T1081
OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12 T10811
Cl.CC(C)NCC(O)COc1ccc(OCCOCC2CC2)cc1 T10812
NCCCc1cccc(c1)C(F)(F)F T10814
OC(=O)CNC(=O)\C=C\c1ccccc1 T10815
[2H]C1([2H])N(C\C=C\c2ccccc2)C([2H])([2H])C([2H])([2H])N(C(c2ccccc2)c2ccccc2)C1([2H])[2H] T10816
CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C T10817
ClC1(Cl)CC1C2=CC=C(OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(O)=O)C=C2 T10818
COc1ccc(cc1C(=O)NC[C@@H]1CCCN1CC1CC1)S(N)(=O)=O T10819
S=C=NCc1ccccc1 T1082
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1 T10821
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 T10822
OC(=O)\C=C/c1cnc[nH]1 T10824
C[C@@H]1OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@H]1C T10825
Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1F T10826
OC(=O)c1ccccc1-c1ccc(\C=C2\SC(=S)NC2=O)o1 T10828
NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12 T10829
Cn1c2[nH]cnc2c(=O)n(C)c1=O T1083
O=C(C1(C(O[Na])=O)OC2=CC=C(C[C@H](NC[C@@H](C3=CC=CC(Cl)=C3)O)C)C=C2O1)O[Na] T10830
NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1 T10831
Cl.NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1 T10831L
OC(=O)C(F)(F)F.NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1 T10831L2
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(=O)NCC(O)=O)c2n1 T10833
CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12 T10835
OC(=O)C(O)=O.CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12 T10835L
C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 T10836
NC(=O)C1(CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc23)CC1)N1CCCCC1 T10837L
CC(C)(OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O T10839
O.Cn1c2nc[nH]c2c(=O)n(C)c1=O T1083L
COc1cc2c(NCC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 T10840L
[2H]C([2H])([2H])N(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 T10842
Cl.[2H]C([2H])([2H])N(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 T10842L
CCC(CC)n1c(Cc2cccs2)nc2cc(ccc12)C(=O)N[C@@H](CC(C)C)CC(O)=O T10843
Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12 T10845
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O T1085
CCn1c2ccccc2c2cc(CNCc3ccccn3)ccc12 T10850
Cl.CSc1cccc(c1)N(C)C(=N)Nc1cc(SC)ccc1Cl T10852
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccccc3)nc12 T10853
Cc1ccc(cc1)S(=O)(=O)\N=C\c1c(O)ccc2ccccc12 T10858
Cc1ccc(S\N=C\c2c(O)ccc3ccccc23)cc1 T10859
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C T1086
Oc1c(C=O)cc(Cc2ccccc2)cc1[N+]([O-])=O T10860
[O-][N+](=O)c1c[nH]c2c3ncc(cc3ccc2c1=O)C(=O)N1CCN(Cc2ccccc2)CC1 T10861
CCCN(CC)C(=O)c1cnc2c(ccc3c2[nH]cc([N+]([O-])=O)c3=O)c1 T10862
COc1ccccc1[C@H](C)NC(=O)Nc1cc(OCCCC(C)C)c(OC)cc1C(O)=O T10863
N[C@@H]1C[C@H]1c1ccc(NC(=O)CCCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 T10864
COCC(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O T10867
Cl.CNCc1ccc(NC(=O)c2c[nH]c3CCCC(=O)c23)cc1 T10869
CNCc1ccc(NC(=O)c2c[nH]c3CCCC(=O)c23)cc1 T10869L
Cl.CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O T1087
Cl.Clc1cccc(COc2cncc(n2)N2CCNCC2)c1 T10871
ON(CC(Cc1ccccc1)C(O)=O)C(=O)Cc1ccccc1 T10876
Fc1cccc(F)c1CC(=O)Nc1cc(OCc2ccc(Cl)cc2)ccn1 T10877
Cc1noc2[C@H](CC(O)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 T10879
c1ccc(c(c1)[C@@H](NC(=O)Cc1cc(c(cc1)C(=O)O)OCC)CC(C)C)N1CCCCC1 T1088
NC(C1CC1)(C(O)=O)c1ccc(cc1)P(O)(O)=O T10880
Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O T10881
O=C1c2ccccc2-c2onc3c(cc(NCCN4CCCC4)c1c23)N1CCCCC1 T10882
CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)NCC#Cc1ccc(cc1)C(=O)NO T10883
Fc1cccc(F)c1C(=O)Nc1cc[nH]n1 T10884
Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F T10885
COC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)OC T10886
CC12CCCC(CCC1)(C2)C(=O)Nc1nc2cc(Cl)cc(Cl)c2s1 T10887
Cl.N[C@H](CNc1nc(nc2sc3CCCCc3c12)-c1ccncc1)Cc1ccccc1 T10888
CN(C)c1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(Cl)c1CC(O)=O T10889
CCOC(=O)c1cncn1[C@H](C)c1ccccc1 T1089
Cc1cccc(C)c1OCCSc1nc2ccccc2n1CC(O)=O T10890
CN(C1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 T10891
O[C@H](CN1CCOCC1)Cn1oc(c(Cl)c1=O)-c1ccccc1 T10893
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1 T10894
N[C@@H](CO)C(=O)N\N=C\c1ccc(O)c(O)c1O T10896
Cl.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 T10898
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 T1090
OC(=O)CCCCCCCCCCCNC(=O)NC1CCCCC1 T10900
[2H]C([2H])([2H])Oc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC([2H])([2H])[2H])c2)ccc1O T10901
C[C@H](NC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)N(C)C T10902
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(C)(F)F)cc1 T10903
CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O T10905
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])c1ccccc1CN2C T10908
[H][C@@]12CC[C@]3([H])[C@]4(CC14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC=C(C)C)CC[C@H](O)C3(C)C T10910
CC(C)CNC(=O)[C@H]1C[C@@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 T10911
CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)C(C)NC1CC(C1)C(O)=O T10912
[H][C@]1([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@]3([H])CC[C@@]4([H])C(=C)[C@H](CC[C@@]44C[C@@]34CC[C@]12C)NC T10913
Cl.CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 T10914
[N+](O)(=O)[O-].C1(Cl)C=CC(N2C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N=C(N)N=C2N)=CC=1 T10915
ClC1=CC=C(N2C(N)=NC(N)=NC2(C([2H])([2H])[2H])C([2H])([2H])[2H])C=C1 T10916
CS(=O)(=O)NC(=O)C(C1CCCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1 T10917
COCCC(CC1(CCCC1)C(=O)NCCCc1ccc(Cl)cc1)C(O)=O T10918
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 T1092
CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cc2n1C1CC1 T10922
Cc1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21 T10923
O\N=C1/c2ccccc2-c2nc(C#N)c(nc12)C#N T10924
NCc1ccc(cc1)-c1cccc(Oc2ccnc(n2)C#N)c1 T10925
N#CC1=NC(OC2=CC(C3=CC=C(CN)C=C3)=CC=C2)=CC=N1.Cl T10925L
Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C)cc3C)s2)cc1 T10927
[H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)\C=C\C(=O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C T10928
COc1ccc2n(C(=O)[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(=O)n(CCN)c2c1 T10929
Cl.COc1ccc2n(C(=O)[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(=O)n(CCN)c2c1 T10929L
COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O T1093
C(C[C@H](C(=O)O)N)CP(=O)(O)O T10930
Cl.Cl.CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 T10931
NC(=O)[C@@H](CCCNC(=N)CCl)NC(=O)c1ccccc1 T10932
N[C@H](CS)C(O)=O T10933
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O T10934
N[C@H](CCC(O)=O)C(O)=O T10935
CCN(CC)CCNC(=S)Nc1ccc2nc(cc(C)c2c1)N1CCN(CC)CC1 T10936
N[C@H](CC(=O)c1ccccc1N)C(O)=O T10938
NC(CCSCC(N)C(O)=O)C(O)=O.Cl.Cl T10939
N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O T10939L
CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1 T1094
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)CO T10940
O=C1[C@H](O)[C@H](O)[C@@H](CO)O1 T10941
OC[C@@H](O)[C@H](O)CO T10942
C[C@@H](O)C(O)=O T10943
Cl.Fc1ccc(Cc2nn(C3CCCN(CCc4ccccc4)CC3)c(=O)c3ccccc23)cc1 T10945
[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T10946
C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 T1095
Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O T10952
Cl.Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O T10952L
Cc1cccc(C)c1OCc1cc(no1)C(=O)N1CCC(CC1)c1ccncc1 T10953
CCOc1ccc(Cc2cc(ccc2Cl)[C@]2(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 T10957
[2H]C([2H])([2H])C([2H])([2H])Oc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 T10958
OC[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O T10959
Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N T1096
CC(C)(C)c1cc(\C=C2/SC(N)=NC2=O)cc(c1O)C(C)(C)C T10960
CS(O)(=O)=O.CC(C)(C)c1cc(\C=C2/SC(N)=NC2=O)cc(c1O)C(C)(C)C T10960L
CN1CCN(CC1)C(=O)\C=C1\c2ccccc2NC(=O)c2ccccc12 T10961
[2H]C1([2H])N(CCO)C([2H])([2H])C([2H])([2H])N(c2cc(Nc3ncc(s3)C(=O)Nc3c(C)cccc3Cl)nc(C)n2)C1([2H])[2H] T10962
CCN1CC(CN1CC)NC(=O)c1cc(Cl)c(N)cc1OC T10963
NC(=N)c1ccc2nc([nH]c2c1)-c1ccc([se]1)-c1nc2ccc(cc2[nH]1)C(N)=N T10964
COc1ccc(NC(=S)N2CCN(Cc3ccccc3)C2)cc1Cl T10966
CCOC(=O)c1[n+]2CCc3ccccc3-c2cc2c3ccccc3c3ccccc3c12 T10967
CC(O)C(O)=O.Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N T1096L
CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 T1097
CCn1c2cc(Cl)c(Cl)cc2[nH]c1=O T10977
N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O T10978
CCCCC1(Cc2cc(OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1 T10979
[O-]C(=O)c1ccccc1.CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1 T1098
CCCCCC1CC1CC1CC1CCCCCCCC(=O)OC T10980
O=C1C2C(C3C=CC2C2CC32)C(=O)N1c1ccc(Cc2ccncc2)cc1 T10981
Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 T10982
[H]Cl.[H]Cl.O=C(NC1=CC=C([C@@H]2C[C@H]2N)C=C1)C(C=C3)=CC=C3N4CCN(C)CC4.[H]Cl T10983
Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N T10983L
C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 T10984
Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 T10985
Cc1cn(nn1)-c1ccc(NC(=O)Nc2ccccc2C)cc1 T10986
[H][C@]12CN(C[C@@]1([H])NCCC2)c1c(F)cc2c(c1OC)n(ccc2=O)C1CC1 T10987
Clc1cccc(N2CCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl T10989
[Cl-].COc1ccc2c(C)c3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC T10990
COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1-c1ccccc1N=O T10991
[H][C@@]12CC[C@]3(C)[C@]([H])(CCC4=C5CC(C)(C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CCC(=O)C2(C)C T10993
CC(=O)c1ccc2OC(C)(C)C=Cc2c1 T10995
[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)c1ccccc1 T10996
COCCNCCC1=CC(NC2=NC=C3CC(C4=CC=CC=C4F)C5=CC=CC=C5C3=N2)=CC=C1 T10997
CCCC1(Cc2cccc3CCN1c23)C1=NCCN1 T10998
CCCCNCC(O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 T10999
[H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1ccco1)C(O)=O T11000
CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12 T11001
OP(O)(O)=O.OP(O)(O)=O.CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12 T11001L
O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccccc1)c1ccc(O)cc1)c1ccc(F)cc1 T11003
Cl.CNCCc1c([nH]c2cc(Br)ccc12)C(C)(C)C=C T11004
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F T11005
[Fe++]123456789[C]%10(=[CH]1[CH]2=[CH]3[C-]4%10CNc1c2ccc(Cl)cc2ncc1)CNC.[CH-]51[CH]6=[CH]7[CH]8=[CH]91 T11006
C[C@H]1COc2c(N3CCNCC3)c(F)cc3c2n1cc(C(O)=O)c3=O T11007
O=C(O)C1=CN2[C@H](COC3=C(C(F)=CC(C1=O)=C23)N4CCN(CC4)C)C.[H]Cl T11007L
NCCC=C1c2ccccc2CCc2ccccc12 T11008
Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)N(C)C T1101
Cc1c(Cc2cnc[nH]2)cccc1C(O)=O T11010
Cl.Cl.CCCN[C@@H]1CCc2nc(N)sc2C1 T11011
Cc1ncc(n1C[C@@H](CN1CCOCC1)OP(O)(O)=O)[N+]([O-])=O T11013
[O-][N+](=O)c1cc(NC(=O)Nc2c(Cl)cccc2Cl)cs1 T11014
C(C1=CC=CC=C1)(C2=CC=CC=N2)CC3=NCCN3.[2 T11015
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2 T11016
O=C1[C@H]2[C@H](O2)[C@H](O)C(NC(C3=C(O)C=CC=C3)=O)=C1.O=C4[C@@H](O5)[C@@H]5[C@@H](O)C(NC(C6=C(O)C=CC=C6)=O)=C4.[relative T11018
O[C@@H]1[C@@H]2O[C@@H]2C(=O)C=C1NC(=O)c1ccccc1O T11018L
CC(C)Oc1nn(c(C)c1Oc1c(F)cccc1F)-c1ncc(cc1F)C1CC1 T11019
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C T1102
O\N=C(/C#N)C(=O)Nc1ccc(cc1)-c1ccccc1 T11020
Cc1ccc(NC(=O)C(=N\O)\C#N)cc1 T11021
FC(F)(F)c1ccc(NC(=O)c2no[nH]c2=O)cc1 T11022
Fc1c(F)c(-c2ccccc2)c(F)c(F)c1NC(=O)c1no[nH]c1=O T11023
O=C(Nc1ccc(cc1)-c1ccccc1)c1no[nH]c1=O T11024
CCOc1nn(c(C)c1Oc1ccccc1Br)-c1ncc(CC)cn1 T11025
C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1Cl)-c1ccccc1 T11026
C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1Cl)-c1ccccc1Cl T11027
CC(C)Oc1nn(c(C)c1C(O)c1ccccc1)-c1ncc(cn1)C1CC1 T11028
FC(F)(F)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H]1CCCc2ccccc12 T11029
CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 T1103
C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)-c1ccccc1Cl T11030
CC(C)Oc1nn(c(C)c1Cc1ccccc1F)-c1ncc(cn1)C1CC1 T11031
O=C(O)C(N)C1=CC(O)=CC(O)=C1 T11032
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1 T11034
[2H]C([2H])([2H])C([2H])(NCC(O)COc1ccc(NC(C)=O)cc1C(C)=O)C([2H])([2H])[2H] T11036
CCCn1ccc2cc(cc(C3CC3)c12)N1CCOc2ncnc(N)c2C1=O T11037
CC(CCCN)Nc1ccnc2cc(Cl)ccc12 T11039
OP(O)(O)=O.CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 T1103L
Br.CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 T11041
[H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)CC[C@H](O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C T11042
COc1c(CC(=O)c2cc3CC(O)C(C)(C)Oc3cc2O)ccc2OC(C)(C)C=Cc12 T11044
[2H]C([2H])([2H])OC(=O)\C=C\C(=O)OC([2H])([2H])[2H] T11045
COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc2o1 T11047
Cc1cc(C)c2[nH]c(=O)c(cc2c1)-c1[nH]cnc1-c1ccccc1 T11048
OC(=O)C(F)(F)F.CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O T11049
CC(=O)Oc1cccc(C(O)=O)c1OC(C)=O T11050
N=c1nc2n(Cc3ccccc3C#N)c3ccccc3nc2c2ccccc12 T11051
[O-][N+](=O)c1cccc(N\C=C/C(=O)c2ccccc2)c1 T11053
CCCC(N)C(O)=O T11054
OC([C@@H](N)[C@@H](C(O)=O)OCC1=CC=CC=C1)=O.[Relative T11055
[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 T11056
CC(=O)NC(Cc1ccccc1)C(O)=O T1106
[H][C@@]12CC\C(C)=C/CC[C@@]3(C)O[C@@H]3[C@@]1([H])OC(=O)[C@@H]2CN(C)C T11060
Cl.CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC T11061
Cc1nn(c(O)c1C(=O)Nc1ccccc1)-c1ccccn1 T11063
Oc1c-2c(CCc3ccccc-23)nn1-c1ccccn1 T11064
O=C(C1=CC=CN=C1)/C=C/C2=CC=C3C=CC=CC3=C2.[(E)] T11065
O=C(C1=CC=C2C=C(OC)C=CC2=C1)/C=C/C3=CC=CN=C3.[(E)] T11066
[2H]c1nc(C)nc([2H])c1-c1cc(NC[C@@H](C)c2cccc3c(ccnc23)C(=O)NC)ncn1 T11067
Cl.OC(=O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O T1107
[2H]C([2H])(Oc1ccc(NS(C)(=O)=O)cc1)C([2H])([2H])N(C)CCc1ccc(NS(C)(=O)=O)cc1 T11072
C[N+]([O-])(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 T11073
COC(Cn1cc(C(O)=O)c(=O)c(OC)c1C(=O)OC)OC T11074
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)C#N)cc12 T11075
Clc1cccc(Cl)c1CSc1nnc(o1)-c1ccc[nH]1 T11076
C1CC(C1)Nc1ncnc2sc3CCCCc3c12 T11077
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 T11078
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCc1ccc(O)c(O)c1 T11079
CC(=O)Nc1ncc(s1)[N+]([O-])=O T1108
CC#CC1(CCCCC1)OCC(COCC(C)C)N1CCCC1 T11080
CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5n(C)cnc5c4)c3c2)n1 T11082
Clc1ccc(cc1Cl)C12CC1CNC2 T11087
Cl.[2H]C([2H])([2H])N(C)CC\C=C1\c2ccccc2COc2ccccc12 T11088
O[C@@H](C[C@H](O)C1)C(/C1=C([2H])\C=C2[C@@]3([H])[C@@](CCC\2)(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC3)=C([2H])\[2H] T11089
COc1cc(CNC(=O)CCCC\C=C/C(C)C)ccc1O T1109
OC(=O)CCC(O)=O.[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(C)(OCCN(C)C)c1ccccn1 T11091
O=C1c2ccccc2C(=O)c2nc(-c3ccccc3)c(nc12)-c1ccccc1 T11092
[O-][N+](=O)c1cc(c(NN(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O)[N+]([O-])=O T11093
CCCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N/O)c2c1 T11094
[H]Cl.[H]Cl.C1(N2CCNCC2)=NC3=C(NC4=C1C=CC=C4)C=CC=C3 T11095
C1CN(CCN1)C1=Nc2ccccc2Nc2ccccc12 T11095L
Cl.CC(C)NCC(O)CC(c1ccccc1)c1ccccc1 T11097
CC\C(=C(\c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1 T11098
Cc1cccc(C)c1NC(=O)C1CCCCN1CCO T11099
Cl.Cl.Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1 T1110
Cc1ccc(cc1)S(O)(=O)=O.C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1 T11100
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3cn[nH]c(=O)c23)c1 T11104
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 T11105
NC(=O)Cc1ccccc1-c1ccccc1F T11106
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1 T11108
CN1CCN(CC1)C1=Nc2ccc(Cl)cc2S(=O)(=O)N1 T11109
[Cl-].C[n+]1ccccc1\C=N\O T1111
N#Cc1nc2\C(=N\OCc3ccccc3)c3ccccc3-c2nc1C#N T11110
CCO\N=C1/c2ccccc2-c2nc(C#N)c(nc12)C#N T11111
C=CCO\N=C1/c2ccccc2-c2nc(C#N)c(nc12)C#N T11112
Cl.[2H]C([2H])([2H])NCC[C@H](Oc1cccc2ccccc12)c1cccs1 T11113
CNCCC(c1cccs1)c1ccc(O)c2ccccc12 T11114
CN(C)CC(=O)Nc1ccc2cc([nH]c2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 T11115
CC(C)(C)OC(=O)Nc1ccc2cc([nH]c2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 T11117
[H][C@]12C[C@@]11C(=CC(=O)c3[nH]c(cc13)C(=O)OC)N(C2)C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 T11118
CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 T11119
OCc1ccccn1 T1112
COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 T11120
CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C T11122
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)S(C)=O T11123
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OS(=O)(=O)O[Na] T11125
O[C@H]([C@@H](O)C(O)=O)C(O)=O.OB(O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCNC1 T11127
OB(O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCNC1 T11128
C[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 T11129
Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1 T1113
CN(CCOC(=O)\C=C\C(=O)c1ccc(F)cc1)C(C(=O)NC(C)(C)C)c1ccc(F)cc1 T11130
COC(=O)C(O)CCn1cnc2c(N)ncnc12 T11134
OC1C2=CC=CC=C2/C(C3=CC=CC=C3C1)=C/CCNC.O=C(O)/C=C\C(O)=O.[(E)].[(Z)] T11135
O=C(O)C(/C=C/C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)=O.[(E)] T11137
CC(O)(C1=CC=C(/C=C/C2=CC=C3N(C4=CC=C(OC(C)C)C=C4)C=NC3=C2)C=C1)C T11138
CC(C)Oc1ccc(cc1)-n1cnc2cc(\C=C/c3ccc(cc3)C(C)(C)O)ccc12 T11138L
O=C1\C(=C/c2ccccc2)C(NC2CCCCC2)c2ccccc12 T11139
NCCO.Cc1cc(C2CCCCC2)n(O)c(=O)c1 T1114
OC1=CC2=C(/C(C=C2C(F)(F)F)=C/CCCCCCCC)C=C1O.[(E)] T11141
CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(s1)[N+]([O-])=O T11142
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 T11147
CCCC(=O)Nc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)c(c1)-c1ccno1 T11148
OC(=O)CCC(O)=O.CN(C)CCOC(C)(c1ccccc1)c1ccccn1 T1115
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])N1N=C(C)CC1=O T11152
[H][C@@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)N(Cc1ccccc1)C2=O)c1cccc(O)c1 T11155
CN(C)C\C=C\C(=O)N1CCCC[C@@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 T11156
OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 T1116
OC[C@@H](Nc1ncnc2oc(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccccc1)c1ccccc1 T11163
CC[C@](N)(CCC(O)=O)C(O)=O T11165
CNCc1cnn(c1)-c1cc(Nc2nc(C)cc(NC)n2)ccc1OC T11166
CNc1cc(C)nc(Nc2ccc(OC)c(c2)-c2[nH]c3cnccc3c2C)n1 T11167
CCCCCC[C@@](N1C2=C(C(N)=NC=N2)N=C1)([H])[C@H](O)C.[Relative T11168
CCCCCC#CCC#CCC#CCC#CCCCC(O)=O T11169
Cl.CN(CCCOc1ccc(Cl)cc1Cl)CC#C T1117
Cl.CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N T11172
OC1=CC=C2C[C@@H](C3=CC=C(OC)C=C3N(CC)CC4=CC=C(CCNCC)C=C4)CCC2=C1 T11173
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F T11175
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1)[C@@H]1CCCCNC1=O T11178
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1)C1CCCCNC1=O T11178L
Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)N1CCNCC1 T11179
O.CC=CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O T1118
CN(C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1 T11180
CCc1c(C)c(O)ccc1C(=O)NNC(=O)[C@H](O)c1cc(F)cc(F)c1 T11181
CCc1c(C)c(O)ccc1C(=O)NNC(=O)[C@@H](O)c1cc(F)cc(F)c1 T11182
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C T11183
CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C T11186
COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(OCCN3CCNC(=O)C3)cc2o1 T11187
NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1 T11188
Cl.NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1 T11188L
Nc1nc(=O)n(cc1F)[C@@H]1CS(=O)[C@H](CO)O1 T11189
C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O T1118L
C#CCN[C@@H]1CCc2ccccc12 T1119
OCCCCOc1nsnc1-c1ccc(Cl)c(Cl)c1 T11190
Fc1ccc(NC(=O)c2cnn(c2)-c2ccccc2F)cc1NC(=O)C=C T11191
OC(=O)\C=C/C(O)=O.[2H]c1c([2H])c([2H])c(CC[C@H](N[C@@H](C)C(=O)N2CCC[C@H]2C(O)=O)C(=O)OCC)c([2H])c1[2H] T11192
[Na+].[Na+].[2H]c1c([2H])c([2H])c(CCC(NC(C)C(=O)N2CCCC2C([O-])=O)C([O-])=O)c([2H])c1[2H] T11193
[2H]c1c([2H])c([2H])c(CC[C@@H](N[C@@H](C)C(=O)N2CCC[C@H]2C(O)=O)C(O)=O)c([2H])c1[2H] T11194
Cc1nc(NCCCCCCc2ccccc2)nc(C)c1O T11196
Cl/C(C1=CC=CC=C1)=C(C2=CC=C(OC([2H])([2H])C([2H])([2H])N(CC)CC)C=C2)\C3=CC=CC=C3.[H]Cl.[(E)] T11197
Nc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@@H]1CCCc2c(OCc3ccccc3)cccc12 T11199
CN(C)N=Nc1nc[nH]c1C(N)=O T1120
OC1=CC=C(/C(C2=CC=C(OCCNC)C=C2)=C(C3=CC=CC=C3)/CC)C=C1 T11200
OP(O)(O)=O.CC[C@H]1[C@@H](Cc2cncn2C)CSC1=O T11204
O[C@H](CC[C@H]1[C@@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 T11205
[H][C@@]12Cc3c([nH]c4ccccc34)[C@@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 T11206
[Na+].CCN(CC)C(=O)C(=C\c1cc(O)c([O-])c(c1)[N+]([O-])=O)\C#N T11207
[2H]C([2H])([2H])NC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F T11208
Cl.CN(C)\N=N\c1[nH]cnc1C(N)=O T1120L
CN(C)\N=N\c1[nH]cnc1C(N)=O.OC(=O)CC(O)(CC(O)=O)C(O)=O T1120L2
COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 T1121
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CF T11210
C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O T11211
Clc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c(Cl)c1 T11212
CC1=C(C)C(=O)C(CC[C@@](C)(O)C(N)=O)=C(C)C1=O T11214
OC1=CC=C(/C=C/C(C2=CC=CC=C2F)=N/OCCN(C)C)C=C1.[(E)] T11216
CN(C)CCO\N=C(\C=C\c1ccc(O)cc1)/c1ccccc1F T11217
Oc1ccc(\C=C\c2cc(O)cc3O[C@H]([C@@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1 T11218
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)([C@H](\C=C\C)C=C2)C(\O)=C1\C(=O)[C@H](CO)N(C)C1=O T11219
[Na+].CC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc1cccs1)C2=O)C([O-])=O T1122
OC(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1 T11220
COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O T11221
Oc1ccc2cc(cc(C#N)c2c1)-c1ccc(O)c(F)c1 T11222
CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1occc2=O T11223
OCC1=NC(NC(N[C@H](C)C2=CC=CC=C2)=O)=CC3=C1C=NN3.[H]Cl T11225
[2H]C([2H])([2H])OCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC([2H])([2H])[2H] T11229
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O T1123
C1CN=C(S1)N1CCS\C1=N/C1c2ccccc2C=Cc2ccccc12 T11230
CO[C@@H]1C[C@]23N(CC=C2C=C1)CCc1cc(OC)c(OC)cc31 T11232
Cc1ccc(C)c(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1 T11234
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H] T11235
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 T11237
NCCc1c[nH]c(=S)n1[C@H]1COc2c(F)cc(F)cc2C1 T11238
Cl.NCCc1c[nH]c(=S)n1[C@H]1COc2c(F)cc(F)cc2C1 T11238L
Cl.CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN(CC)CC)c2c1 T11239
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C T1124
[2H]C([2H])([2H])C([2H])([2H])C(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl T11240
OCC(=O)N1CCC(CC1)c1n[nH]c(c1-c1ccncn1)-c1ccc(Cl)cc1F T11241
OC([C@@H]1-;@[C@H](-;@[C@@H](-;@[C@@H](O)-;@[C@H](OCC)-;@O-;@1)O)O)=O T11242
CCOC(=O)NS(=O)(=O)c1ccc(C)cc1 T11243
CCn1cnc(C(=O)NC)c1C(=O)NC T11244
CCC(N1CCCC1=O)C(N)=O T11245
[2H]c1c([2H])c(c([2H])c([2H])c1-c1cc(Cl)cnc1-c1ccc(C)nc1)S(C)(=O)=O T11246
[2H]c1c([2H])c(C#N)c([2H])c([2H])c1Nc1nc(N)c(Br)c(Oc2c(C)cc(cc2C)C#N)n1 T11247
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](N)c(c3Cn1c2=O)c45 T11249
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)CO)c(c3Cn1c2=O)c45 T11249L
CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O T1125
[2H]c1c([2H])c(c([2H])c([2H])c1F)N1[C@@H]([C@@H](CC[C@H](O)c2ccc(F)cc2)C1=O)c1ccc(O)cc1 T11250
Oc1ccc(cc1)[C@@H]1[C@@H](CCC(=O)c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 T11251
CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nc[nH]c1Sc1ccc(Cl)cn1 T11255
Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1 T11256
COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccccc1OC)C(O)=O T11257
CNC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(c(C)cc2n1)-c1ccncc1 T11259
[K+].CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C([O-])=O T1126
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1 T11261
C\C(=N\OCC(O)CNC(C)(C)C)C1CC1 T11262
[H][C@]12SC([C@H]3CCCO3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCc1oc(=O)oc1C T11265
O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2ccc3cccnc3c2)CN1C1CC1 T11266
CC[C@H](C)C(=O)Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N(CC)CC T11267
N[C@H](CO)c1cccc(c1)-c1cccc(COc2ccccc2CC(O)=O)c1 T11269
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Oc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O T11270
Cc1ccc(cc1)S(O)(=O)=O.Clc1ccc(OCC2=NCCN2)cc1Cl T11272
NC(C(C1=CC=CC=C1)(CC[N+]2(C([2H])([2H])[2H])CCCCC2)C3=CC=CC=C3)=O.[Br-] T11273
CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1c(O)c2ccccc2oc1=O T11274
CNC(=O)c1cc2c(cn1)[nH]c1ccccc21 T11277
CN1Cc2c(ncn2-c2ccccc2C1=O)-c1noc(n1)C1CC1 T11278
NC(=O)CN1CC(O)CC1=O T1128
CN(C)CCCNc1cc(C)nc2c1ccc1c2ccc2c(NCCCN(C)C)cc(C)nc12 T11281
CN(C)c1ccc(\C=C\c2c(F)cccc2F)cc1 T11284
CNc1ccc(\C=C\c2c(F)cccc2Cl)cc1 T11285
[H][C@]12CN(C[C@]1([H])OCCN2)c1c(F)cc2c(c1C#N)n(cc(C(O)=O)c2=O)C1CC1 T11289
NC(=O)CN1C[C@@H](O)CC1=O T1128L
CC(N(Cc1cnc(C)nc1N)C=O)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1 T1129
CC(C)N1CCN(CC1)C(=O)c1ccc(OC(=O)C2CCCc3ccccc23)cc1 T11290
Cl.Cc1nc[nH]c1CC1CCc2c(C)c3ccccc3n2C1=O T11293
N\N=C1\CC(Oc2ccccc12)c1ccccc1 T11294
[2H]c1c([2H])c([2H])c2n(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c(=O)[nH]c2c1[2H] T11295
CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Oc1ccc(F)cc1F T11296
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 T11298
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn(CC=C)c3ncnc(N)c23)no1 T11299
CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc([nH]n1)-c1ccc2OCOc2c1 T11300
[H][C@]12OCC(CSc3nnnn3CCO)=C(N1C(=O)[C@]2(NC(=O)CSC(F)F)OC)C(O)=O T11301
FC(F)(F)c1cccc(c1)C1CNCCO1 T11302
Cc1cc2c(cc1C(=C)c1ccc(C(O)=O)c(F)c1)C(C)(C)CCC2(C)C T11303
NP(N)(=O)NC(=O)c1ccc(F)cc1 T11305
O=C([O-])C[C@H](O)C[C@H](O)/C=C/C(N1C(C([2H])([2H])[2H])C([2H])([2H])[2H])=C(C2=CC=C(F)C=C2)C3=C1C=CC=C3.[Na+] T11306
CON\C=N\C(=O)c1ccc(cc1C)C1=NOC(C1)(c1cc(Cl)cc(Cl)c1)C(F)(F)F T11307
OC(=O)c1ccc(NCc2c(noc2-c2cc[nH]c2)-c2c(Cl)cccc2C(F)(F)F)cc1 T11308
COCCNCCCn1c(C(=O)CF)c(-c2ccc(C)cc2)c2c(N)ncnc12 T11310
Cl.O\N=c1/cc(oc2ccc(CCCN3CCOCC3)cc12)-c1cc2sccc2cn1 T11311
O\N=c1/cc(oc2ccc(CCCN3CCOCC3)cc12)-c1cc2sccc2cn1 T11311L
Nc1ncnc2c(n[nH]c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T11312
Cl.OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1[nH]cnc2=O T11313
O=P(OC[N]1=CC=CC(C2=CC(CC3=CC=C(COC4=NC=CC=C4)C=C3)=NO2)=C1N)(O)[O].[+].[-] T11314
ON(CCCP(O)(=O)O[Na])C=O T11315
NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(O)=O)cc1 T11316
O=C1C2=CC=CC=C2OC=C1/C=[N]3[Cu]([Cl-])([S]=C(N)N\3)[Cl-].[2+] T11317
Cl.Cl.Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O T11318
CN(C)CCNC(=O)c1cc(cc(c1)-c1cc(Cl)sc1Cl)C(=O)NC(N)=N T11319
C(=O)(c1cc(cnc1)Br)OC[C@H]1CN([C@H]2[C@](C1)(c1c3c(C2)cn(c3ccc1)C)OC)C T1132
Cl.CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCC(C)(C)OCc2ccsc2)c1 T11320
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCC(C)(C)OCc2ccsc2)c1 T11321
NC(=N)c1ccc(cc1)-c1ccc(OC[C@@H]2C[C@@H](CC(O)=O)C(=O)N2)cc1 T11322
O=C(CS(=O)Cc1ccco1)NCCCOc1cccc(CN2CCCCC2)c1 T11324
O=C(O)CCC(O)=O.O=C(C1=CC2=C(NC3=C2C[C@H](NC)CC3)C=C1)N.O T11326
Fc1ccc(cc1)-c1nn2CCN(Nc2c1-c1ccncc1)C(=O)C(=O)c1ccccc1 T11327L
CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1 T11328
CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F T11329
CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O T1133
CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O T11330L
CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O T11331L
COc1ccc(cc1OC)-c1cc(n2nc(cc2n1)-c1cccs1)C(F)(F)F T11332
C1=CC(C=C1)=c1c2ccccc2[nH]\c1=c1\[nH]c2ccccc2c1=C1C=CC=C1 T11333
O=C([O-])[C@]1([C@H](CC(NC)=O)C2=O)C(N2CC(C=C3)=CC=C3C4=CC=CC=C4)=CCCC1.[Na+] T11336
CCOC(=O)[C@@]12CCCC=C1N(Cc1ccc(cc1)-c1ccccc1)C(=O)[C@H]2CC(=O)NC T11337
NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N T11338
[Na]OC(=O)c1cc2cc(Cc3cccnc3)ccc2o1 T11339
O=C(C1=CC2=CC(CC3=CC=CN=C3)=CC=C2O1)O T11339L
CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 T1134
CC(C(O)=O)c1ccc(cc1)C(=O)c1ccco1 T11340
C[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(O)=O)c1ccc(OC(F)(F)F)cc1 T11341
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 T11342L
COc1ccc(cc1)-c1c([nH]c2[nH]c(=O)[nH]c(=O)c12)-c1ccc(C)s1 T11343
Nc1ccc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO T11344
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 T11345
C(CSSCCNCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12 T11347
CC(Oc1ccc2ncc(\C=C\C(O)=O)c(C3CC3)c2c1)c1c(Cl)cccc1C1CC1 T11348
[O-][N+](=O)c1ccc2nc([nH]c2c1)-c1ccc(Cl)cc1 T11349
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C T1135
CC(C)(C)c1cc(\C=C\C(=O)C(O)=O)cc(c1O)C(C)(C)C T11350
[H][C@]12C[C@@H](O)C=C[C@]11CC[N@@+](C)([O-])Cc3ccc(OC)c(O2)c13 T11351
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC T11353
OC(=O)C(F)(F)F.N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O T11357
COc1cc(Nc2nc3C(CCCc3s2)c2ccccc2)ccc1-n1cnc(C)c1 T11358
CC1=CN(C2=CC=C(C=C2OC)NC3=NC4=C(S3)CCCC4C5=CC=CC=C5)C=N1.[H]Cl T11358L
COc1cc(Nc2nc3C(CCCc3s2)c2ccc(F)cc2)ccc1-n1cnc(C)c1 T11360
COc1c(ccc2[nH]c(cc12)-c1cn2CCO[C@H](c2n1)c1cccc(F)c1C)C#N T11361
[H][C@@]12CC\C(=C/c3ccc(c(OC)c3)-n3cnc(C)c3)C(=O)N1[C@@H](COC2)c1cc(F)c(F)c(F)c1 T11362
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](C[C@H](O)[C@@]34C)[C@H](C)CC\C=C(/C)C(O)=O)[C@@]1(C)CCC(=O)C2(C)C T11364
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC[C@H](O)[C@](C)(O)CO)[C@@]1(C)CCC(=O)C2(C)C T11365
CCOC(=O)Nc1cccc2C(CN(C)Cc12)c1ccc(Cl)cc1 T11367
CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 T11368
Nc1cc(C(Cl)=C(Cl)Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O T1137
C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 T11371
OS(O)(=O)=O.NCCCCCCCNC(N)=N T11372
C1CC(CCO1)n1cc(Nc2ncc3nnn(-c4ccc5cn[nH]c5c4)c3n2)cn1 T11373
Nc1ncc(cn1)C#Cc1c(F)ccc(NS(=O)(=O)c2cc(Cl)cc(CO)c2Cl)c1F T11374
COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C#Cc2cnc(N)nc2)c1F T11375
CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O T11376
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 T11377
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 T11380
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1 T11383
[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1([2H])[2H] T11384
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1([O-])CCOCC1 T11385
[Ca++].CC(C)(CCCCOCCCCC(C)(C)C([O-])=O)C([O-])=O T11386
CC(C)(CCCCOCCCCC(C)(C)C(O)=O)C(O)=O T11386L
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1 T11387
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 T1139
COc1ccc(cn1)[C@H]1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)ccc2O1 T11390
O=C(C=NC(C=C1)=C23)N3[C@@H](CN4CCC(NCC5=CC(CCCO6)=C6C=N5)CC4)CN2C1=O T11391
O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 T11391L
CC(C)[C@@H]1CC\C(C)=C\CCC(=C)\C=C\1 T11392
COCCCC(=O)NCc1ccc(cc1)C(F)(F)F T11393
FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl T11394
COc1cc(OC)c(Cl)c2O[C@]3([C@H](C)CC(=O)C=C3OCc3ccccc3)C(=O)c12 T11395
CC(C)C[C@H](NC(=O)N1CCN(Cc2nc[nH]c2C)C(=O)[C@@H]1Cc1ccccc1)C(O)=O T11396
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12 T11397
Cl.CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 T1139L
Cl.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)c2c(O)cccc12 T1140
COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O T11401
ClC(C=C1)=CC=C1NC2=CC(C3=CNN=C3)=CC=C2 T11402
N[C@@H](CCC(N)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T11403
Cc1c(C(=O)C(=O)NCC#C)c(C)n(C)c1C(=O)Nc1ccc(F)c(F)c1 T11409
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 T1141
CN1C(=O)N(C(=O)[C@]1(CO)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F T11410
CN1C(=O)N(C(=O)[C@@]1(CO)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F T11410L
O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 T11411
C\C=C\c1c(nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1OCc1ccccc1)C(C)C T11413
OC1=CC(F)=CC=C1C2=C(C(C(C)C)=NC(C(C)C)=C2CCC)[C@H](O)C.[relative T11414
CC(C)C1=NC(C(C)C)=C(CCC)C(C2=CC=C(F)C=C2O)=C1[C@H](O)C.[relative T11415
CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O T11417
COCCOc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2F)c2ccsc12 T11420
COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1 T11422
COc1ccc(cc1OC)N(C1CCN(C)CC1)C(=O)NCCCn1cncc1C T11423
COc1ccc(cc1OC)-c1cccc(F)c1NCCCn1cnc(C)c1 T11424
Cc1cn(CCCNc2ccccc2-c2ccc(F)cc2)cn1 T11425
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O T11426
CN(C)CC(=O)OCC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@H](CNC(C)=O)OC1=O T11427
[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](CC)[C@]2([H])C[C@H](O)CC[C@]12C T11428
OC1=C(C(=O)NC1=O)c1ccc(cc1)-c1ccc(Br)cc1 T11429
[Na+].[Na+].CC1(C)SC2C(NC(=O)C(C([O-])=O)c3ccccc3)C(=O)N2C1C([O-])=O T1143
[H][C@@]12CN(C[C@@H](O)[C@]1([H])OC(C)(C)O2)C(=O)OC(C)(C)C T11430
[H][C@@]12CN(C[C@@H](O)[C@@]1([H])OC(C)(C)O2)C(=O)OC(C)(C)C T11431
NCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T11434
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N T11435
CCCC1CCC(CC1)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(O)=O T11437
CC(C)n1ncc2cnc(Nc3cc(nc(n3)N3CCC(F)(F)C3)C3CCNC3)cc12 T11438
Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C T1144
[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 T11440
COC1=NC=C(N(C)C([C@@H](NC(C2=NN([C@H](C3=CC=CC=C3)CC4)C4=N2)=O)CC5)=O)C5=C1 T11442
CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3c(C)nc(nc3c2c1)-c1cnn(C)c1 T11443
CN1N=CC(C2=NC(C)=C(NC3=NC=C(C4=CC=C(N5CCN(C)CC5)C=C4)C=C36)C6=N2)=C1.Cl T11443L
CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(F)c2)nc1 T11444
CC1(C)NCCn2cc(nc12)-c1ccc(F)cc1 T11445
C[C@@H]1CN(Cc2cn[nH]c2-c2ccc(cc2)C#N)CCN1c1ccc(cn1)C(F)(F)F T11446
CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O T11447
Cc1nc(ccc1COc1cc(Cl)c2c(CC(O)=O)csc2c1)C(F)(F)F T11448
O=C(CC[C@@](N)(C(O)=O)[H])NC([H])(C(O)=O)CC1=CNC2=C1C=CC=C2.Cl T11449
[H][C@@](N)(CCC(=O)N[C@@]([H])(Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O T11449L
O=C(CC[C@@](N)(C(O)=O)[H])N[C@]([H])(C(O)=O)CC1=CNC2=C1C=CC=C2.OC(C(F)(F)F)=O T11449L2
O.Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C T1144L
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 T11450
O=C(OCCCC1=CC=CN=C1)[C@H]2N(C(C(C(C)(C)CC)=O)=O)CCC2 T11451
OC(=O)CCc1cc(F)c(OCc2c(nsc2C(F)(F)F)-c2ccc(Cl)cc2F)c(F)c1 T11452
Cc1cc(OCc2nc(cs2)-c2ccccc2Cl)ccc1OCC(O)=O T11453
Cc1cc(OCc2nc(cs2)-c2ccccc2Cl)ccc1CCC(O)=O T11454
Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O T11455
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 T11456
Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1 T11458
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)C T11459
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC T1146
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 T11460
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCNCC1 T11461
O=c1nc(OCC2COCCO2)cc2-c3ccc(OCc4ccccn4)cc3CCn12 T11462
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1 T11463
C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12 T11464
CC[C@H](NC(=O)C1(N)CCOCC1)\C=C\C(=O)N1CCc2ccccc12 T11466
O=C1Nc2ccccc2\C1=C\c1ccccn1 T11467
Cl.Fc1cc2CNCCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23 T11468
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N(C)C)c1C#N T11469
C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccc(C)nn1 T11470
COc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1 T11471
CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 T11472
Fc1cccc(c1Cn1ccc(NC(=O)c2c(F)cccc2F)n1)C(F)(F)F T11473
Cc1cc(-c2cnc(N)c3c(csc23)-c2ccc3scnc3c2)n(C)n1 T11474
[Li]OC(CCNC1=NC(C2=NC=CC=C2)=NC(N(CC3)CCC4=C3C=CC=C4)=C1)=O T11475
OC(=O)CCNc1cc(nc(n1)-c1cccnc1)N1CCc2ccccc2CC1 T11476
O=C(N1[C@H](CNC2=NC=C(Br)C=C2)CC[C@H](C)C1)C3=CC=CC(F)=C3OC T11477
Cl.Fc1cc(cc(F)c1CNC1Cc2ccccc2C1)-c1cccc(c1)-c1ncn[nH]1 T11478
Fc1cc(cc(F)c1CNC1Cc2ccccc2C1)-c1cccc(c1)-c1ncn[nH]1 T11478L
COc1ccc(C(=O)CCC(O)=O)c2ccccc12 T1148
Br.CN(CCc1ccc(Nc2ncc(s2)-c2cccnc2)cc1)Cc1ccccc1 T11480
CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCCN3CCCCC3)c2n1 T11482
Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc2N(CCc2c1)C(=O)Cc1ccccc1 T11484
FC1=CC=CC(/C=C/C2=CC(NC(N)=C3C#N)=C3C=C2)=C1 T11485
Cc1ccc(CNC(=O)N2CCC[C@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)cc1 T11488
O=C(N(CCC1)C[C@]21CCN(CC3=CC=C(Cl)C(Cl)=C3)C2)NCC4=CC=C(C)C=C4.Cl T11488L
O=C(NCC1=CC=C(C=C1)C)N2CCC[C@@]3(CCN(C3)CC4=CC=C(C(Cl)=C4)Cl)C2 T11489
CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 T1149
Cc1cc(Cl)ccc1CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 T11490
[H]Cl.O=[N+](C1=CC=C(CN(CC2=CC=C(Cl)C=C2C)CC3=CC=C(Cl)C=C3)S1)[O-] T11490L
CN1C[C@H](C[C@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br T11495
CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br T11495L
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2F)C(F)(F)F)n1C T11496
OCCOC1=CC=C(Cl)C2=C1B(O)O[C@@H]2CN.[H]Cl T11497
Clc1ccc(\C=C\C(=O)N2CCC3(CN(Cc4ccc(Cl)c(Cl)c4)C(=O)O3)CC2)cc1 T11498
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC(O)=O)c(F)c1 T11499
CCOCC1(COCC)CCC(CC1)c1n[nH]cc1CN(C)CCNC T11500
Cl.Cl.CCOCC1(COCC)CCC(CC1)c1n[nH]cc1CN(C)CCNC T11500L
CNC(=O)c1ccc2n(cnc2c1)-c1ccc(CC(=O)OC(C)(C)C)cc1 T11501
N#CC1=CC=C(C2=CC(OC[C@H]3CNCC3)=CN=C2C4=CC=C(C)C=C4)C=C1.Cl T11503
CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl T11505
COc1ccccc1OCCOCCOCCN1CCCCC1 T11506
CCC(C)(C)N\C(N)=N\C#N T11507
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 T11508
Cl.C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 T11508L
[Cl-].[H][C@]12CC[C@@]3(CC[C@]4([H])[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@]3([H])C1)[C@H](O)C2=C T11509
[H][C@@]12CC34CC(=C)[C@]5([H])[C@@H](O)[C@@]3([H])[C@@]36C[C@H](C[C@@](C)(CN1C3[C@@]4(O)[C@@H]5O)[C@@]26[H])OC(C)=O T11510
ONC(=N)N\N=C\c1c(Cl)cccc1Cl T11512
Cl.Cl.Cl.NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCNC(N)=N T11514
[Na+].[O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C1/CCN(C1=O)c1ccccc1 T11516
CCCn1cnc2c(NCc3ccc(C)s3)nc(N[C@H](CC)CO)nc12 T11517
OP(O)(O)=O.CC(=N)NCCSCC[C@H](N)C(O)=O T11518
CC(=N)NCCSCC[C@H](N)C(O)=O T11518L
CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1 T1152
NC(=O)c1ccc(CNC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)cc1 T11521
Cl.Cl.CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 T11522
Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 T11524
[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O T11525
Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O T11525L
O=C(OCC1=CC=C([N+]([O-])=O)C=C1)NCCCC[C@H](N)C(N2CCCC2)=O T11526
N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T11527
COc1ccc(Oc2c(cc(cc2S(N)(=O)=O)C(O)=O)-n2cccc2)cc1 T11528
CN(Cc1ccccc1)C(=O)N1CCC(CC1)C(=O)Nc1nc(C)cs1 T11529
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC T1153
[H]Cl.N1(C2CCC2)CCC(CC3=NC(C4=CC=C(OCO5)C5=C4)=NO3)CC1 T11531
CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 T11532
O=C1N(CC2=CC=C(F)C=C2)C(S/C1=C\C3=CC=C(OCC4=CC=C(B(O)O)C=C4)C=C3)=O.[(Z)] T11533
[H][C@]12C[C@H](OC)C=C[C@@]11[C@@H](O)CN2Cc2cc3OCOc3cc12 T11534
O[C@@H](C1)[C@@]2(C=C3)C4=CC(OCO5)=C5C=C4C[N@@]1[C@@]2([H])C[C@@H]3OC.[H]Cl T11534L
[2H]c1c([2H])c(c([2H])c([2H])c1Cl)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 T11535
[2H]c1c([2H])c(c([2H])c([2H])c1F)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1 T11536
NC(=S)n1nc(c(\N=N\c2cccc(Cl)c2)c1O)-c1ccc(cc1)[N+]([O-])=O T11538
NCc1ccc(F)c(Oc2ccccc2)c1F T11540
CN1CCc2c(C1)n(Cc1ccc(cc1)C(=O)NO)c1ccccc21 T11542
COCCNC(NCCCCN)=NO T11545
NCCCCNC(NCCOC)=NO.O=S(O)(O)=O.O=S(O)(O)=O T11545L
C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)-c1ccccc1 T11546
O\C(C1CC1)=C(\C#N)C(=O)Nc1ccc(cc1)-c1ccccc1 T11547
O=c1[nH][nH]c(=O)c2c(-c3ccc4OCOc4c3)c3c4OCOc4ccc3cc12 T11549
COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccccc1 T1155
O=C1NCc2c1cc1ccc3OCOc3c1c2-c1ccc2OCOc2c1 T11550
COCCNC(=N)NCCCCN T11552
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COCCNC(=N)NCCCCN T11552L
NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(N)=N)cc1 T11553L
CCCC(F)(F)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N T11554
CCCCc1ccc(N\C=N\O)c(C)c1 T11556
Cc1n[nH]c(c1C)-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C T11557
CCCCCCOC(=O)c1cc(O)c(O)c(O)c1 T11558
Cl.O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 T1156
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)C(O)c12 T11561
[O-][N+](=O)c1cc(Nc2ccc3nonc3c2[N+]([O-])=O)ccc1Cl T11562
Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br T11563
OC[C@@]1(F)O[C@H]([C@H](F)[C@@H]1O)n1ccc(=O)[nH]c1=O T11564
OC(=O)C(\O)=C\C(=O)c1cccc(CN=[N+]=[N-])c1 T11566
Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCCCCO)cc12 T11567
Cl.FC(F)(F)Oc1ccc(NC(=N)NC(=N)N2CCCC2)cc1 T11570
CCc1cccc2-c3cc4OCOc4cc3CN(C)c12 T11571
O[C@H](C1(C)C)CC[C@@]2(C)C1=C[C@H](O)C3C2CC[C@@]4(C)C3CC[C@@H]4[C@@H](CCCC(CC=C)(O)CC=C)C T11572
NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 T11573
Cc1sc2ncnc(N[C@@H]3CCN(Cc4ccccc4)C3)c2c1C T11574
Cc1sc2ncnc(N[C@H]3CCN(Cc4ccccc4)C3)c2c1C T11575
OB(O)c1cc(Cl)ccc1NC(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)nc1 T11576
CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 T11577
CCOC(=O)c1ccccc1B1OCC(C)(C)CO1 T11579
Cl.CC(COc1ccccc1)N(CCCl)Cc1ccccc1 T1158
Brc1ccc(CCCCn2ccnc2)cc1 T11580
Cl.Brc1ccc(CCCCn2ccnc2)cc1 T11580L
O=C(Nc1nnn[nH]1)c1cncc(n1)N1CCCC1 T11581
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O T11582
Cc1ccccc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1 T11583
OC(CN1CCN(CC1)c1nsc2ccccc12)c1cc2CC(=O)Nc2cc1Cl T11586
Cl.NO T11587
CC(NC(C)(C)CO)C(=O)c1cccc(Cl)c1 T11588
O.[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O T11589
CC(N(CCCl)CC1=CC=CC=C1)COC2=CC=CC=C2 T1158L
Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F T1159
O[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O T11590
[2H]C([2H])(OCCO)C([2H])([2H])N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 T11591
[2H]C1([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])N(C(c2ccccc2)c2ccc(Cl)cc2)C1([2H])[2H] T11592
COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O T11593
CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O T11594
O=S(=O)(Cc1ccccc1)N1C=Cc2ccccc2C1c1c[nH]c2ccccc12 T11600
[2H]c1c([2H])c([2H])c(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c([2H])c1[2H] T11601
[2H]C([2H])([2H])C(C(O)=O)c1ccc(CC(C)C)cc1 T11604
CC(C)Cc1ccc(cc1)[C@@H](C)C(N)=O T11605
O=C(NN1C(C2CC2)=NC3=C(C=CC(F)=C3)C1=O)CC4=CC=C(F)C=C4 T11606
Cl.CC(C)N[C@H](C)[C@@H](O)COc1ccc(C)c2CCCc12 T11607
OC(CNCCNC(=O)Cc1ccc(O)cc1)COc1ccccc1C#N T11608
O=C1CCC(\C=C\c2ccncc2)=NN1 T11609
CCCc1cc(ccn1)C(N)=S T1161
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])-n1c(nc2cccc(F)c2c1=O)[C@H](CC)Nc1ncnc2[nH]cnc12 T11610
[H][C@@]12CCc3cnc(Nc4ccccc4)nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1ccccc1 T11611
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)(F)F T11613
CSCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1 T11615
Cc1ncc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(ncc12)-c1cccc(F)c1F T11616
NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N/O T11617
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)[C@H]1C[C@H]1C(O)=O T11618
[H][C@@]1(CC[C@H](O)CC1)[C@H](O)C[C@@H]1c2c(cccc2F)-c2cncn12 T11619
Cc1cnc(c[n+]1[O-])C(O)=O T1162
[H][C@@]1(CC[C@H](O)CC1)[C@@H](O)C[C@H]1c2c(cccc2F)-c2cncn12 T11620
[H][C@@]1(CC[C@H](O)CC1)[C@@H](O)C[C@@H]1c2c(cccc2F)-c2cncn12 T11621
CS(=O)(CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=NC#N T11622
Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12 T11623
OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O T11624
CC1(C)CN(CCC11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F T11626
CC1(C)CN(CC[C@@]11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F T11627
CC1(C)CN(CC[C@]11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F T11628
[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@H](C3)C)(C(=O)CO)OC(=O)CCCC)C)CCC2=CC(=O)C=C[C@]12C)F T1163
Cl.CNCc1ccccc1Sc1cccc2ccccc12 T11630
CNCc1ccccc1Sc1cccc2ccccc12 T11630L
Cc1ccc(cc1)-c1c(C#N)c(N)n2c3ccccc3nc2c1C#N T11631
[H][C@@]1(CCN(C)C[C@H]1O)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O T11632
Cl.Oc1cccc(OCC2CC2)c1-c1cc(C2CCNCC2)c2COC(=O)Nc2n1 T11633
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)O T11637
[2H]c1c([2H])c(c([2H])c([2H])c1CN1CCN(C)CC1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 T11639
CCCc1nn(C)c2c1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 T1164
Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1 T11641
C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@@H](CN(C)C1=O)C(O)=O T11642
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@@H](O)C1=C T11643
O=C1NC2=C3N1C(C4=NC=CC=C4)COC3=C(C5=C(C)ON=C5C)C=C2 T11649
CCc1cc(ccn1)C(N)=S T1165
Cn1cc2c(NC3=NCCN3)cccc2n1 T11651
O\N=C1\C(\Nc2ccccc\12)=C1/C(=O)Nc2ccc(cc12)S(O)(=O)=O T11652
OS(=O)(=O)c1ccc2NC(=O)\C(=C3\Nc4ccccc4C3=O)c2c1 T11653
OCC(O)CCO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2ccccc12 T11654
[2H]c1c([2H])c(c([2H])c([2H])c1Cl)C(=O)n1c(C)c(CC(O)=O)c2cc(OC)ccc12 T11655
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(=O)NC1CCN(CCc2c[nH]c3ccccc23)CC1 T11656
Cc1cc(cc(C)c1-c1csc(NC(=O)c2ccncc2)n1)N1CCCCC1 T11657
O=C1c2nc(sc2C(=O)c2ccccc12)-c1ccco1 T11658
NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O T11659
Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12 T1166
CCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1cncn1C T11660
[Na+].CCC1C(O)C2C3CCC(C(C)CCOS([O-])(=O)=O)C3(C)CCC2C2(C)CCC(O)CC12 T11661
[H][C@@]12CC[C@H]([C@H](C)C[C@@H](C)C(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](CC)[C@]2([H])C[C@H](O)CC[C@]12C T11662
[H][C@@]12CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](CC)[C@]2([H])C[C@H](O)CC[C@]12C T11662L
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(c1)C1CC1 T11663
OC(=O)c1cccc(Nc2cc(N3CCCCCC3)c3noc4-c5ccccc5C(=O)c2c34)c1 T11666
NC(=N)N[C@@H](CS)C(O)=O T11668
Fc1ccc(NC(=S)NCCCn2ccnc2)c(F)c1 T11669
[C@]12([C@@H]3[C@@H](C3)C(=O)C=C2C(=C[C@@H]2[C@@H]1CC[C@]1([C@H]2CC[C@]1(OC(=O)C)C(=O)C)C)Cl)C T1167
COc1ccc(cc1OC)-c1cnc2ccc(NCc3ccc(cc3)S(N)(=O)=O)nn12 T11670
Cc1ccn2c(C(=O)C(=O)c3ccccc3)c(nc2c1)-c1ccccc1 T11673
[2H]c1c([2H])c(c([2H])c([2H])c1CN1C(CCCC)=NC2(CCCC2)C1=O)-c1ccccc1-c1nnn[nH]1 T11675
O=C(C1=C(O)C=C(O)C([C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)=C1O)C3=CC=C(O)C=C3 T11676
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCN(CCN3CCNC3=O)CC2)c2ccccc12 T11677
COc1cc(ccc1O)-c1coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(O)c2c1=O T11678
[2H]c1c([2H])c(c([2H])c([2H])c1C#N)-c1csc(n1)[C@H](C)[C@](O)(Cn1cncn1)c1cc(F)ccc1F T11679
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO T1168
[H][C@]12C(\C=C\C)=C[C@](OC)(C(=O)C1(OC)OC)C1(CC=C)C=C(OC)C(=O)C(OC)(OC)[C@@]21[H] T11680
COc1c2CCC(C)(C)Oc2cc2oc(=O)c(cc12)-c1ccc(O)cc1O T11683
Cl.OC(=O)C1=CCNCC1 T11684
[H][C@]12CC[C@]3(C1)C(=CCCC3(C)C)C2(C)C T11685
Cc1coc2c1C(=O)c1ccc3c(C)cccc3c1C2=O T11686
CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC T1169
C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2cc([nH]c2c1)-c1n[nH]c2CC(C)(C)CCc12 T11690
COc1cc(cc(OC)c1OC)C(=O)N1CCc2cc(Br)ccc12 T11691
CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 T11693
Cl.Cl.CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 T11693L
Cl.COc1cc2C[C@H](CNCCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC T11695
CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1 T11696
COC1=Cc2ccccc2\C(=C\C(O)=O)c2ccsc12 T11697
Cl.CN(C)CC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12 T1170
Cc1ccc(c2ccccc12)S(=O)(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O T11700
ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 T11701
Fc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3ccccc3Cl)c2c1 T11702
CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N T11703
C[C@@H](O)[C@@H](CO)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O T11704
C[C@@H](O)[C@@H](COP(=O)(O[Na])O[Na])Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O T11705
CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C T11707
Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)S(C)(=O)=O T11708
Fc1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 T11709
CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)CC1 T11710
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#N)c2c1nc[nH]c2=O T11711
O=C(NC1=NC=CS1)C(N2C(C(C=C(C3=CC(C=CN4)=C4C=C3)C=C5)=C5C2)=O)C6=CC=CC=C6 T11713
CC(N1CCC2=C1C=CC(S(=O)(N3CCN(C4=CC(F)=CC(C(F)(F)F)=C4)CC3)=O)=C2)=O T11715
CC(N1CCC2=C1C=CC(S(=O)(N3CCN(C4=CC(Cl)=CC(C(F)(F)F)=C4)CC3)=O)=C2)=O T11716
CC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(OC(=O)C(C)(C)C)c1ccccc1 T11717
CCOc1ccccc1CCNC(=O)\C=C\c1c[nH]c2c(OC)cccc12 T11718
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=CC4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O T1171L
Clc1ccc(cc1)C(C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O T1172
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 T11721
Cl.Cl.Fc1ccc(CN2CCC(CC2)Nc2ccc(nn2)C(F)(F)F)cc1F T11722
NC1=NC(C(C)C)=CC(N2C[C@H](N)CC2)=N1.[H]Cl.[H]Cl T11723
CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 T11723L
Fc1ccc(cc1)-n1ccc2cc(ccc12)C(=O)N1CC(C1)N1CCN(CC1)C(=O)c1nccs1 T11724
Cl.COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1 T11725
CN1CCN(C2=CC=C(NC3=C(C=CC=C4)C4=NC5=CC=CC=C53)C=C2)CC1.[H]Cl.[H]Cl T11726
CC1CN=C(S1)N(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 T11728
Cl.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 T1173
COc1ccc2SCCN(Cc2c1)C(=O)CCN1CCC(Cc2ccccc2)CC1 T11731
O=C(N1CCSC2=CC=C(OC)C=C2C1)CCN3CCC(CC4=CC=CC=C4)CC3.O=C(O)/C=C/C(O)=O.[1/2] T11732
CC(C)c1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 T11734
COc1cc(Cl)c(cc1NCC(=O)N1CCN(CC1)C(=O)C=C)-c1ccccc1Cl T11735
Oc1cc(Cl)c(cc1NCC(=O)N1CCN(CC1)C1CN(C1)C(=O)C=C)C1CC1 T11736
COc1cc(Cl)c(cc1C(=O)N1CCN(CC1)C(=O)C=C)-c1cc(Cl)ccc1Cl T11737
CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1 T11739
Cl.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O T1174
OCCOC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2cc(F)ccc2O)cc1O T11741
Cl.N[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO T11743
Cl.CN1CCN(CC1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31 T11744
CC(=O)N1CCCC1(Cc1ccc(cc1)S(C)(=O)=O)C(=O)OCc1ccccc1 T11746
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 T11749
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC T1175
NC(C1=CC=NC(CNCC(N(CC)CCN(C)C)=O)=C1)=O.OC(CC(C(O)=O)(O)CC(O)=O)=O T11750
NC(C1=CC=NC(CNCC(N(CC)CCN(C)C)=O)=C1)=O.Cl.Cl.Cl T11750L
CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O T11751
COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12 T11752
Clc1cc2NC(=O)Cc2cc1C(=O)CN1CCN(CC1)c1nsc2ccccc12 T11753
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(=O)c1ccc2C(CCn12)C(O)=O T11754
CN1c2ccccc2\C(=C\CCCCC(O)=O)c2cnccc2C1=O T11755
NC(=N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F T11756
C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 T11757
CC(C)[C@@H](C(=O)Nc1nc(C)c(s1)-c1nnc(C)o1)n1c(=O)[nH]c2ccccc2c1=O T11759
CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 T1176
CS(=O)(=O)Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O T11760
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cl)c(Br)c3)ncnc2cn1 T11761
CC(C)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C#C)c(c1)C#N T11763
Cc1ccc(cc1)-n1c(n[nH]c1=O)-c1ccc(O)cc1O T11765
NC(=O)C(=C/n1cnc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\c1cncnc1 T11766
NC(=O)C(=C\n1cnc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\c1cncnc1 T11766L
FC1=CC=CC(O)=[C@@]1[C@@]2=C(F)C(N=CC(N3C)=C4N5[C@H](CN(C(C=C)=O)CC5)C3=O)=C4C=C2Cl T11768
C[C@@H]1CN2[C@H](CN1C(=O)C=C)C(=O)N(C)c1cnc3c(F)c(c(Cl)cc3c21)-c1c(O)cccc1F T11769
Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1 T1177
Cc1c(c(Cl)cc2c3N4CCN(C[C@@H]4COc3cnc12)C(=O)C=C)-c1c(O)cccc1F T11770
C[C@@H]1CN2[C@@H](COc3cnc4c(F)c(c(Cl)cc4c23)-c2c(O)cccc2F)CN1C(=O)C=C T11771
Cn1nnc2c(ncn2c1=O)C(N)=O T1178
[Cl-].COc1ccc2c(Cc3ccccc3F)c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC T11781
CC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2c(Br)ccc(Cl)c2c1=O T11783
OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1 T11784
OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1 T11785
CC(NCCc1ccc(OCC(O)=O)cc1)C(O)c1ccc(O)cc1 T11786
Cc1ccc(Oc2ncc(cn2)N2C(=O)NC(C)(C)C2=O)c2c1OCC21CC1 T11787
CC[C@H]1NC(=O)N(C1=O)c1ccc(Oc2ccc(C)c3OCC4(CC4)c23)cn1 T11788
Cc1n[nH]c(=O)n1-c1ccc(Oc2ccc(C)c3OCC4(CC4)c23)nc1 T11789
[Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 T1179
Cc1ccc(O[C@H]2C[C@@H](C2)N2C(=O)NC(C)(C)C2=O)c2c1OCC21CC1 T11790
CCCC(=O)Nc1ccc(Cc2ccccn2)c(c1)[N+]([O-])=O T11791
Cc1ccc(cc1)C(=O)Nc1sc(Nc2ccccc2)nc1C(N)=O T11793
Cl.NCCOC[C@H](N)C(O)=O T11795
C[C@@H]([C@H](C1=CC=CC=C1)N(C)C)NC(C2=C3C=CC=C2)=NN4C3=NN=C4C.[H]Cl.[H]Cl T11796
C[C@H](Nc1nn2c(C)nnc2c2ccccc12)[C@@H](N(C)C)c1ccccc1 T11796L
Cl.Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 T11799
Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 T11799L
CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1 T1180
COC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCc1c([nH]c2c(F)cc(F)cc12)-c1ccccc1 T11800
Cl.Cl.CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 T11801
NOCC[C@H](N)C(O)=O T11802
N[C@@H](CS(O)=O)C(O)=O T11803
CC(=N)NCCCC[C@H](N)C(O)=O T11805
Cl.Cl.CC(=N)NCCC[C@H](N)C(O)=O T11806
COc1ccc(cc1)S(=O)(=O)ON=C1C=C(C)C(=O)C(C)=C1 T11807
Cl.Cl.CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1 T1180L
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 T1181
[H][C@@]12Cc3cc(OC)c(O)cc3-c3c(OC)c(O)cc(CCN1)c23 T11811
NCCC[C@@](N)(C(F)F)C(O)=O T11812
Cl.NCCC[C@@](N)(C(F)F)C(O)=O T11812L
Cc1cc(NC(=O)C(\C#N)=C(/O)C2CC2)ccc1C(F)(F)F T11813
Nc1cc[15n]([C@@H]2CS[C@@H](O2)C(O)=O)[13c](=O)[15n]1 T11814
[H][C@]12COCCN1CCN(C2)c1nc(C)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F T11815
[2H]c1c([2H])c([2H])c2[nH]c(nc2c1[2H])S(=O)Cc1nccc(OCC(F)(F)F)c1C T11816
[2H]c1c([2H])c([2H])c2[nH]c(SCc3nccc(OCC(F)(F)F)c3C)nc2c1[2H] T11817
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C#N)c2c(=O)n1-c1ccccc1 T11818
COc1c(N2C[C@@H](F)[C@@H](CNC3CC3)C2)c(F)cc2c1n(CCF)cc(C(O)=O)c2=O T11819
[Cl-].CCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C T1182
NC1(CC2CCC1C2)C(O)=O T11820
[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCc3ccccc3)[C@@]1([H])CC(=O)O2 T11821
COc1cccc(c1)-n1[nH]c2c(cnc3ccc(Cl)cc23)c1=O T11822
O=C(NCc1cccnc1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 T11823
Nc1cncc(n1)-c1cn2ccnc2c(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1 T11824LL
OC(=O)Cc1ccc(CC2(CNS(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 T11825
COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1 T11826
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2ccc(nc2)C(F)(F)F)cn1 T11827
CCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T1182L
C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C T1183
NCCCSC1=C(C=C(OC)C=C2)C2=NC3=CC=C(OC)C=C31.Cl.Cl T11830
NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 T11831
Cl.[H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CN)C(C)C T11834
C[C@@H]1CN(CCN1c1cnc(cn1)C(C)(C)O)c1nnc(Cc2ccccc2)c(C)c1C T11838
Cl.Cl.Clc1cnn(CCCCN2CCN(CC2)c2ncccn2)c1 T11839
Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O T1184
CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T11840
O[C@@H]1[C@@H](COS(NC([C@H](N)CC(C)C)=O)(=O)=O)O[C@@H](N2C(N=CN=C3N)=C3N=C2)[C@@H]1O T11841
Cc1c[nH]c(=O)[nH]c1=O.OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O T11842
Cc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C T11844
Cl.Cl.Clc1cccc(c1)C(c1ccc2nc[nH]c2c1)n1ccnc1 T11847
ClC1=CC(C(C2=CC=C3NC=NC3=C2)N4C=CN=C4)=CC=C1 T11847L
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 T1185
[H][C@]12CC=C[C@@]1([H])c1cccc(OCC)c1N[C@H]2c1ccc(cc1)C(O)=O T11850
[2H]C([2H])([2H])C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 T11853
[H][C@@]1(CCC2C1CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OC(=O)[C@@H](N)CC(O)=O)[C@H](C)CCC(O)=O T11858
O=c1cc(oc2c(\C=C\c3ccc(OCCCCc4ccccc4)cc3)cccc12)-c1nnn[nH]1 T11860
CC[C@H](C)[C@H](N)C(NCCN1CCOCC1)=O.[H]Cl.[H]Cl T11861
COc1ccccc1Oc1cccc(CN2CCC3(CC2)N(CCc2ccccc2)CNC3=O)c1 T11862
CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O T11864
CCCCCCCCCCCCCCCCCC(O)c1ccc(C(O)=O)c(Cl)c1 T11865
C1(C2=NNC=C2C3=CC=NC=C3)=CC(OCC4=CN5C(C=C4)=NC=C5)=CC=C1 T11866
CCCCCN(CCCCC)C(=O)C(CCC(=O)O[Na])NC(=O)c1ccc(Cl)c(Cl)c1 T11868
[2H]c1c([2H])c(c([2H])c([2H])c1Cn1c(CCCC)nc(Cl)c1C(O)=O)-c1ccccc1-c1nn[nH]n1 T11869
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 T1186L
c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1 T1187
[2H]c1c([2H])c(c([2H])c([2H])c1Cn1c(CCCC)nc(Cl)c1CO)-c1ccccc1-c1nnn[nH]1 T11870
[H][C@@]12CC[C@](OC(=O)OC([2H])([2H])C([2H])([2H])[2H])(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T11871
COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCNCCO)c(=O)c2cc1OC T11872
Cl.COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCNCCO)c(=O)c2cc1OC T11872L
CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 T11873
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N T11874
OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1 T11875
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F T11876
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12 T11878
CCNCCN(CC)c1nc(N[C@@H](C)C2CCCCC2)nc(Nc2ccc3ncoc3c2)n1 T11879
n1(cnc(c1O)C(=O)N)[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O T1188
N\C(=N/O)c1cccc(\C=C\c2cc(O)c(O)cc2Br)c1 T11880
N\C(=N/O)c1ccc(\C=C\c2cc(O)c(O)cc2Br)cc1 T11881
O[C@@H]1CCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F T11884
Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1 T11885
C[C@@H](N1Cc2ccccc2C1=O)C(=O)Nc1nc2ccccc2[nH]1 T11886
O=S(C1=CC=CC=C1OC)(NC2=C3N=C(N4C=C(C)N=C4)C=C5C3=C(N(C)C5=O)C=C2)=O T11887
O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1nnc(o1)-c1ccccc1 T11888
Cc1ccccc1N1C(S)=NC(=O)\C(=C/c2ccc(OCc3cccc(c3)C(O)=O)cc2)C1=O T11889
Cl.CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c1ccccc1 T1189
Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 T11894
Cl.Cn1cc(nc1C1CCN(CC1)c1ncnc2[nH]ncc12)-c1ccc(F)c(c1)C(F)(F)F T11900
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCc2c1)C(=O)C1CCOCC1 T11901
CN(C)[C@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 T11902
C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O T11903
C[C@@H](NC([C@@H](O)C1=CC(F)=CC(F)=C1)=O)C(N[C@H](C(N2C)=O)C3=CC=CC=C3C4=C2C=CC=C4)=O T11904
C[C@@H](NC([C@H](O)C1=CC(F)=CC(F)=C1)=O)C(N[C@H](C(N2C)=O)C3=CC=CC=C3C4=C2C=CC=C4)=O T11905
O=C([C@@]1(N)[C@]2([H])[C@@H](C(O)=O)[C@]2([H])[C@H](C)C1)O T11906
[H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(NC(=O)[C@@H](N)CCSC)C(O)=O T11907
O=C(O)CN(CCOC1=CC=C(C2=CC=C(OCO3)C3=C2)C=C1C(C)(C)C)C.Cl[H] T11908
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccc(F)c3)cc2)c(F)c1 T11909
O.[Na+].CN(CS([O-])(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O T1191
CCCCCCC(C(O)=O)n1ccc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 T11910
Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(F)c1)[C@H]2O)C(O)=O T11911
C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl T11912
COc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 T11913
COc1ccc(cc1)C(=O)c1c(sc2cc(OC)ccc12)-c1ccc(OC)cc1 T11914
Oc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 T11915
Nc1nc2n(CC(O)=O)cnc2c(=O)[nH]1 T11919
[Na+].CN(CS([O-])(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O T1191L
OC1(CNC(=O)c2cc(=O)c3cc(F)ccc3o2)CCC(F)(F)CC1 T11920
Nc1nc2NCC(CCc3ccc(o3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 T11921
Nc1nc2NCC(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 T11922
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T11923
OB(O)[C@H](Cc1coc2ccccc12)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 T11924
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC T11926
COC(=O)[C@H](CC1C=NC=N1)NCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 T11927
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(c3)C(F)(F)F)ncnc12 T11928
Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1 T11929
O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 T11930
NNC(=O)CSc1ccccc1[N+]([O-])=O T11933
NCCc1cccc(O)c1 T11937
Br.NCCc1cccc(O)c1 T11937L
CC(C)c1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cc(O)ccc1F T11939
O=C(C(N1CCN(C2=CC=C(O)C=C2)CC1)C3)N(C4=CC=CC=C4)C3=O T11940
C#CCC/C(O)=C(C#N)/C(NC1=CC=C(C(F)(F)F)C=C1)=O.[(Z)] T11941
Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 T11942
Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C T11943
Cc1sc(cc1-c1cnn2cc(cnc12)-c1cnn(C)c1)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F T11945
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F T11946
COc1ccc(Cn2cc(nn2)C(=O)N\N=C2/C(=O)Nc3c2cccc3C)cc1 T11947
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br T11948
Cl.COc1cccc(c1)-c1cc(C)c(=O)n(CCN2CCOCC2)n1 T11950
CC1=CC(C#C[C@]2(O)CCC[C@]3([H])[C@@]2([H])CCN3C(OC)=O)=CC=C1.[relative T11951
[H][C@@]12CCC[C@@](O)(C#Cc3cccc(C)c3)[C@]1([H])CCN2C(=O)OC T11951L
O[C@@H](C[C@H](O)C/1=C)CC1=C\C=C2[C@@](CC[C@@H]3[C@@H](OCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)C)([H])[C@]3(C)CCC\2 T11952
CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O T11954
CC1=C(CC2=CC=C(O)C(C(C)C)=C2)C(C)=CC(OCP(O)(O)=O)=C1.[Na] T11954L
CC(C)(C)C(=O)c1sc(N)nc1-c1ccc(o1)P(O)(O)=O T11955
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 T11958
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 T11960
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1 T11964
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C11CCN(Cc2ccc(cc2)N2CCCC2)CC1 T11965
Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 T11966
NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(C1=O)c23 T11969
CCCCCCCCCCCCCCC1(CO1)C(=O)OC T11978
COc1ccc(C#Cc2ccccc2)c(CCC(C)N(C)CCc2ccc(OC)c(OC)c2)c1 T11979
Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C T1198
CCCCCCc1ccc(cc1)N=C1SCCS1 T11981
OC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 T11982
CCOC(=O)c1c(C)oc2nc(ccc12)N1CCCC1 T11983
[2H]C([2H])([2H])C([2H])([2H])N(CCCC(O)=O)C(C)Cc1ccc(OC)cc1 T11984
Cl.[2H]C([2H])([2H])Oc1ccc(cc1OC([2H])([2H])[2H])C(=O)OCCCCN(CC)C(C)Cc1ccc(OC)cc1 T11985
CCN(CCCC(O)=O)C(C)Cc1ccc(OC)cc1 T11986
CCN(CCCCO)C(C)Cc1ccc(OC)cc1 T11987
CCN(CCCC(O)=O)C(C)Cc1ccc(O)cc1 T11988
CCN(CCCCO)C(C)Cc1ccc(O)cc1 T11989
CCCCNc1ccc(cc1)C(=O)OCCN(C)C T1198L
ClC(Cl)C(c1ccc(Cl)cc1)c1ccccc1Cl T1199
Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl T11990
CC(O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F T11991
Cl.CNCc1ccc(cc1)-c1cc2cc(F)cc(C(N)=O)c2o1 T11992
CNC(=O)c1ccc2\C(=C(\Nc3cccc(CN(C)C)c3)c3ccccc3)C(=O)Nc2c1 T11993
NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 T11994
[2H]C([2H])(NC(C)=O)C([2H])([2H])c1c[nH]c2ccc(OC)cc12 T11995
Cl.CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1 T11996
[2H]C([2H])([2H])N1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O T11998
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)(C)N[C@H](O)c1ccc(O)cc1Cl T11999
CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C T1200
CO[C@H]1c2c(OC)cccc2C(=O)[C@@]23O[C@@]12[C@@H](O)[C@@](O)([C@@H](C)[C@H]3O)C(=O)[C@@H]1O[C@H]1C T12003
O=C(C(N12)=C(S[C@@H]3CN[C@H](C(N(C)C)=O)C3)[C@H](C)[C@]2([H])[C@@H]([C@H](O)C)C1=O)O.[H]O[H].[H]O[H].[H]O[H] T12004
OC1CCC(CC1)n1cnc2n(Cc3ccccc3)c(c(-c3ccccc3)c2c1=N)-c1ccccc1 T12006
O[C@@H]([C@H]([C@H](N1C=NC2=C(N=CN=C21)N)O3)O)[C@H]3COP(O)(CP(O)(O)=O)=O.[xNa] T12007
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O T12008
COC(CN1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O T12009
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O T1201
[2H]C([2H])([2H])n1cc[nH]c1=S T12011
COc1cncc(c1)C#Cc1ccccn1 T12012
COC(=O)c1cc(O)c(O)c(OC)c1 T12013
[H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)C(=O)OC T12014
COC(=O)Cc1ccc(OC)c(OC)c1 T12015
COC(=O)[C@@H]1CCC(=O)N1 T12016
[Br-].[2H]C([2H])([2H])[N@@+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O T12018
CN(C)c1ccc(-c2nc3ccc(cc3[nH]2)-c2nc3ccc(cc3[nH]2)N2CCN(C)CC2)c(C)c1 T12019
CN1[C@@H](CCC1=O)c1cccnc1 T1202
Cl.CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1 T12020
Cc1ncc(n1CCOC(=O)c1ccccc1)[N+]([O-])=O T12022
Cl.[2H]C([2H])([2H])C([2H])(N)C([2H])([2H])Oc1c(C)cccc1C T12023
N#CC1=CC(C#CC2=NC(C)=CC=C2)=CC(F)=C1.[H]Cl T12025
Cc1c(N2CCc3ccccc3C2)c(N)cc2c1n(cc(C(O)=O)c2=O)C1CC1 T12026
CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 T1203
OC(CN1CCCC1=O)CN1CCN(CC1)c1ccccc1 T12030
COc1ccc(\C=C(/C)C(=O)c2cc(C)nc3ccccc23)cc1O T12034
Cl.[2H]C([2H])([2H])Oc1ccc(OC([2H])([2H])[2H])c(c1)C(O)CNC(=O)CN T12035
Cl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O T12038
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO T12039
Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O T12041
[Br-].C[N+]1(C)CCc2cc3OCOc3cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1OCOc21 T12043
[Cl-].C[N+]1(C)CCc2cc3OCOc3cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1OCOc21 T12044
OC(=O)[C@H]1OC(=O)C[C@@]1(O)C(O)=O T12045
[2H]C([2H])([2H])N1CCN2C(C1)c1ccccc1Cc1cccnc21 T12046
CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O T12047
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O T1205
FC1(-;@C-;@C-;@C-;@C-;@1)C[C@H](NC(C(F)(F)C)=O)C(NC2(-;@C-;@C-;@C-;@2)C(C(N)=O)=O)=O T12051
CCOC(=O)Nc1cc2N[C@@H](C)C(=Nc2c(N)n1)c1ccccc1 T12052
Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F T12054
CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(c2)C(=O)Nc2ccn(C)n2)cn1 T12056
O.O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1 T12058
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 T1206
[Na+].Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C([O-])=O)c1Cc1ccc(cc1)C(F)(F)F T12060
Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F T12061
CC(C)(C)c1cc(I)c(O)c(CN)c1 T12063
NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@H]1CCCNC1 T12064
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 T12066
CN([C@H]1CCC2=C(C3=CC=CC=C3N2C1)CC(O)=O)S(=O)(C4=CC=C(C=C4)F)=O T12067
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 T1207
[H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 T12070
COCCOCCc1c(C)c2cc(OC)c(O)c(C=O)c2oc1=O T12071
FC1=C(CCC2=CC(Br)=CC=C2OC)C(C3=NCCN3)=CC=C1.[H]Cl T12072
C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1 T12074
Clc1cccc(c1)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1 T12075
Cl.[H][C@@]12CN(CCC(C)(C)C)C[C@]1([H])[C@H]2CNC(=O)c1cc(Cl)cc(Cl)c1 T12076
[H][C@@]12CN(CCC(C)(C)C)C[C@]1([H])[C@H]2CNC(=O)c1cc(Cl)cc(Cl)c1 T12076L
COc1cc(ccc1O)-c1ccnc2n(nc(C)c12)-c1ccc(cc1)C(F)(F)F T12077
OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O T12078
CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)c1ccccc1C(F)(F)F)B(O)O T12079
Fc1cccc(c1)C(=O)N\N=C\c1ccc(Sc2ccccn2)o1 T12080
Cc1cc(ccc1-c1cccc(OCCO)n1)C1CCN(CC1)S(=O)(=O)C(C)(C)C(=O)NO T12082
CCCNC(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T12083
OC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c1ccc(Cl)cc1Cl T12084
Cl.NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl T12086
COc1cc(ccc1O)C(=O)Nc1ccccc1CCC1CCCCN1C T12087
Cl.NC\C(CCc1ccc(F)cc1)=C\F T12088
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.c1(cccc(c1C)Nc1ncccc1C(=O)O)C(F)(F)F T1209
O=C1C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](O)[C@]23[H])O1 T12092
[H][C@]12CC3=C(COC(\C=C\C)=C3)C(=O)[C@]1(C)OC(=O)[C@@H]2C(=O)CCCCC T12093
OCC(O)CO.CCCCCCCCCCCCCCCCCCCCCC(O)=O T12094
COC(=O)\C=C\C(O)=O T12095
Cc1ncc(n1C[C@H](O)CN1CCOCC1)[N+]([O-])=O T12096
Cc1ncc(n1CC(O)CN1CCOCC1)[N+]([O-])=O T12096L
Fc1ccc(cc1C(=O)NNS(=O)(=O)c1ccccc1)-c1ccnnc1 T12098
[H][C@]12CN[C@H](C(O)=O)[C@@]1([H])[C@H]2C(O)=O T12099
[Na+].[Na+].CC(O)(P(O)([O-])=O)P(O)([O-])=O T1210
CCc1nc(nn1CC(=O)NCc1cc(Cl)cc(Cl)c1)-c1ccc(Cl)c(F)c1 T12103
COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1 T12104
Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C T12105
OC(C(O)=O)=O.C1(NC2CCCCC2)=C3C(N=CN3)=NC(OC4=CC=CC=C4)=N1.[1/2] T12107
CCOC(=O)C1=C(C)N(CC#C)C(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC T12108
CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O T1211
[O-][n+]1c2ccc(Br)cc2cc2c1c(=O)[nH][nH]c2=O T12110
COc1c(CN)cc(CN)cc1OCCCN1Cc2ccccc2C1 T12111
NCC1=C(C(OCCCN2CC3=C(C2)C=CC=C3)=CC(CN)=C1)OC.[H]Cl.[H]Cl.[H]Cl T12111L
COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1 T12112
Fc1ccc(cc1)C(CCCNCC1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1 T12114
CC(N)(COP(O)(O)=O)C(O)=O T12118
Cc1nc2ccc(F)cc2nc1-c1cc2nc(cc(NCC(C)(C)O)n2n1)N1CC[C@@H](F)C1 T12119
NC(CO)(CO)CO.OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 T1212
Cl.CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2Cc3cccc4cccc2c34)c1=O T12120
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2Cc3cccc4cccc2c34)c1=O T12120L
COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4C)c(=O)c3c2)c1 T12122
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncccn1 T12123
Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2c1 T12124
CN1C(=O)C2(c3ccccc13)C(C#N)=C(N)OC1=C2C(=O)CCC1 T12125
CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F T12126
C\C=C\n1cnc2c(N)ncnc12 T12127
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(F)(F)CC3)cc2)n1 T12128
COCCC(=O)N1CCN(C[C@H]1C1CC1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N T12129
CCOc1ccc2nc3cc(ccc3c(N)c2c1)\N=N\c1ccc(N)nc1N T12134
[2H]C([2H])([2H])Oc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O T12135
Cn1cnc2c(NC3CC4CCC3C4)ncnc12 T12136
CC(O)CNC(=O)C(C)=C T12137
CCCCCCCCCCCC(O)CC(=O)NC1CCOC1=O T12138
CCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1 T12139
COc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1 T12142
COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCN T12143
Cl.[2H]C([2H])([2H])C([2H])([2H])NCC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 T12144
CCNCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C T12145
Cl.CCNCCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C T12145L
NC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F T12146
Cl.CNCCCN1c2ccccc2CCc2ccc(Cl)cc12 T12147
Cl.CC\C(=C(/c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1 T12148
CC\C(=C(/c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1 T12148L
CNC(=O)c1ccccc1 T12150
CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO T12151
Cl.Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCNCC1 T12152
CN(C)c1ccc(CN2CCC(CC2)N(CC=C(C)C)c2ccc(CCC(C)(C)C)cc2)cc1 T12153
CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O T12154
Cl.Cl.CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O T12154L
C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 T12155
Cc1cccc(Cl)c1NC(=O)Nc1ccncc1 T12156
CCCCCNc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C T12157
Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N T12158
Nc1ccc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 T12159
CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 T1216
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 T12160
CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T12161
[Na+].[Na+].CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O T12162
N(CCC1=CC=CC=C1)C2=C3C(N(C=N3)[C@@]4(O[C@H](CO)[C@@H](O)[C@H]4O)[H])=NC=N2 T12163
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(O)cc3)ncnc12 T12164
CCC(=O)c1sc(c(C)c1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 T12165
NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O T12166
[2H]C([2H])([2H])C(NCC(O)COc1cccc2CC(O)C(O)Cc12)(C([2H])([2H])[2H])C([2H])([2H])[2H] T12167
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CC\C2=N/NC(=O)c1ccccc1)ccc3O T12168
Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O T12169
Cl.CN(Cc1ccc(cc1)C(C)(C)C)Cc1cccc2ccccc12 T1217
COc1ccc(CC(C)NCC(O)c2cc(N)cc(CO)c2)cc1 T12170
CCOc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(C2)c2cccnc2)cc1 T12171
Br.COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 T12172
Cl.[2H]C([2H])([2H])N1CCC(CC1)c1c[nH]c2ccc(CCS(=O)(=O)NC)cc12 T12176
[2H]c1c([2H])c([2H])c(C[C@@H](NC(=O)[C@H]2CC[C@@H](CC2)C(C)C)C(O)=O)c([2H])c1[2H] T12178
CC(C)c1ccc(NC(=O)c2c(ccnc2N2CC[C@H](F)C2)-c2cc(F)ccc2F)cn1 T12179
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1 T12181
CNC(=O)c1cccc(Nc2nccc(n2)N2CC(C2)Oc2ccc(F)cc2C)c1 T12182
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 T12183
CS(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc(Cl)c(Cl)c2)cc1F T12184
COC(Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O T12185
NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12 T12187
Cl.Cl.Cl.NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12 T12187L
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N T12188
OCCCCCCSc1ccc([N+]([O-])=O)c2nonc12 T12189
[H][C@]12C[C@H](O)[C@@H](CC(C)C)CN1CCc1cc(OC)c(OC)cc21 T12190
Nc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 T12191
COc1ccc(cc1COc1c(C)cccc1C)C1Nc2ccccc2C(=O)N1Cc1cccnc1 T12192
CN(C)CCCCCCNC(=O)c1cccc(c1)-c1cc(O)c2ncccc2c1 T12193
Fc1cccc(c1)C(=O)N\N=C\c1ccc(Sc2ncccn2)o1 T12194
ClCCN(CCCl)CCN1C(=O)NC2(CCCCC2)C1=O T12195
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N T12197
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCCCO[N+]([O-])=O T12198
Cl.CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1 T12199L
[Br-].CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12 T1220
Cl.NCC1CN(Cc2ccccc2)C(=O)C1 T12201
C[C@H](NC(=O)c1ccc(C#N)n1C)c1c(F)cccc1Cl T12202
CN1C(=O)N[C@@H](Cc2c[nH]c3c(Cl)cccc23)C1=O T12203
CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O T12203L
N[C@H](CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O)Cc1ccccc1 T12206
Clc1cccc(c1)N1CCN(CCn2ccc3c2CCCC3=O)CC1 T12207
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(=O)c1cccc(CC(N)=O)c1N T12208
[Cl-].CC(=O)OCC[N+](C)(C)C T1221
O=C1CC(c2cnn(c2N1)-c1nc2ccccc2s1)c1ccccc1 T12214
CCCCCCN(C)CCCC(C#N)(C(C)C)c1cc(OC)c(OC)c(OC)c1 T12215
CN1CCN(Cc2ccc(cc2)-c2cccc(c2)C(=O)Nc2ccccc2CC(O)=O)CC1 T12216
FC(F)Oc1cc(nn1-c1ccc(NC(=O)c2ccncc2F)cc1)C(F)(F)F T12218
Cc1csc(Cl)c1Nc1nc2ccccc2[nH]1 T12219
Cl.Cl.CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 T1222
CC(C)(C)C1=CC=C(OCC(NCCNC(COC2=CC=C(C(C)(C)C)C=C2)=O)=O)C=C1 T12220
[2H]C([2H])([2H])OC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC([2H])([2H])[2H] T12222
CCN(\N=C\c1ccc(o1)[N+]([O-])=O)C(N)=O T12223
CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)N(C)C T12225
Cl.CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)N(C)C T12225L
[2H]c1c([2H])c([2H])c(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c([2H])c1[2H] T12227
CN(C)Cc1ccc(CSCCN\C(NCc2ccc3OCOc3c2)=C\[N+]([O-])=O)o1 T12228
OC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 T12229
[2H]c1c([2H])c([2H])c(C(=O)Nc2ncc(s2)[N+]([O-])=O)c(OC(C)=O)c1[2H] T12230
CC1(C)CCC(CC1)NC(=O)c1cc2c(F)cc(F)cc2[nH]1 T12231
CN(C)CCCN1c2ccccc2Oc2ccc(cc2C1=O)[N+]([O-])=O T12232
Cl.Oc1ccc2nc(CN3CCC(Cc4ccccc4F)CC3)[nH]c2c1 T12234
CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1Nc2cc(C)c(C)cc2NC1=O T12235
ClCC(=O)Nc1cccc(NC2=NS(=O)(=O)c3ccccc23)c1 T12236
Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 T12239
[Na+].CO\N=C(/C(=O)NC1C2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O)c1ccco1 T1224
CC(O)=O.CC(O)=O.N[C@@H](CCNC(=N)NO)C(O)=O T12240
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C(CCCNCCc1ccc(OC)c(OC)c1)(C#N)c1ccc(OC)c(OC)c1 T12243
COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC T12244
CCCCCCC(C(C)O)n1cnc2c1[nH]cnc2=O T12245
CC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1 T12246
CC(C)(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1 T12247
O=C(NCC1=CC=CC=C1)C#CC2=CC(C3=NN(C(C)C)C([C@@]4([H])CC=CC[C@@]34[H])=O)=CC=C2OC T12250
NC(=O)c1nc(c(CCN2CCC(CC2)=Cc2cccc(F)c2)s1)-c1ccc(F)cc1 T12252
CC(C)(C)c1ccc(Cn2nc(cc2C(=O)NO)-c2ccc(Cl)cc2)cc1 T12253
Nc1ncc(Cc2ccc(Br)cc2)s1 T12255
Cl.C1C[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1 T12256
Cl.Cc1c2ccccc2c(CSC(N)=N)c2ccccc12 T12257
Cc1nc2ccccc2[nH]\c1=N\Nc1ccccc1 T12258
CC1=NC2=CC=CC=C2N=C1/N=N/C3=CC=CC=C3 T12259
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)S(N)(=O)=O)cc1S(O)(=O)=O T12260
C\C(NO)=C1/C=NC(=O)NC1=O T12261
O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCC2C1 T12262
OC(C1CCCCN1)c1cc(nc2c(Cl)cc(Cl)cc12)C12CC3CC(CC(C3)C1)C2 T12263
Cl.OC(C1CCCCN1)c1cc(nc2c(Cl)cc(Cl)cc12)C12CC3CC(CC(C3)C1)C2 T12263L
Cl.CCCCCCCCCCNCCSSCc1ccc(Cl)cc1 T12265
C[C@H](Nc1cc(cc(Nc2cnccn2)n1)-c1cnn(C)c1)c1ccc(F)cc1 T12266
Cl.C[C@H](Nc1cc(cc(Nc2cnccn2)n1)-c1cnn(C)c1)c1ccc(F)cc1 T12266L2
CC1CC(=O)NN=C1c1ccc(NC2=C(C)C(=O)CC2)cc1 T12267
CCCn1nc(C(=O)N2CCCCC2)c2CC(CCc12)NCCc1ccncc1 T12269
O=C(N1CCCCC1)C2=NN(CCC)C3=C2CC(NCCC4=CC=NC=C4)CC3.Cl.Cl T12269L
CC(C)(C[C@H](N)C(O)=O)C(F)F T12270
O=C1N(CC(NCCCN(CC)CC)=O)N=C(C)N2C1=C(C)C3=C2C=CS3 T12271
Cc1nc(NC(=O)NCCc2nnn(CCF)n2)sc1-c1ccc(c(F)c1)S(C)(=O)=O T12275
COc1ccc(-c2c(C)oc3c(c(C)nn23)-n2nc(C)nc2C)c(C)c1 T12276
NC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)-c1ccc(O)cc1 T12279
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OCc1ccccc1 T12282
CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)Cc2ccc(OCC#C)cc2)[C@H]1O T12284
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)[C@H]2C T12286
OC(=O)CCCCCCCCCCCCCCCCC(O)=O T12287
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc2CCOc12 T12288
CN([C@@H]1C=C(CCC1(C)C)n1ccnc1)c1ccc(C#N)c(c1)C(F)(F)F T12289
OC(=O)CSCC(=O)NC1CCSC1=O T1229
[2H]C([2H])([2H])N1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 T12291
[2H]C1([2H])C([2H])([2H])C1([2H])C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F T12292
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T12295
CCCCCCCC\C=C/CCCCCCCC(=O)NCCO T12296
CC(C)(N)CO.Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O T1230
[2H]c1c([2H])c(c([2H])c([2H])c1Cn1c(CCC)nc(c1C(O)=O)C(C)(C)O)-c1ccccc1-c1nn[nH]n1 T12300
CC1CCN(CC1)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C T12301
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 T12302
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 T12303
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 T12304
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 T12305
CCCCCCCC\C=C/CCCCCCCC(=O)NNCc1ccc(O)c(OC)c1 T12306
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NNCc1ccc(O)c(OC)c1 T12307
[2H]C([2H])([2H])Oc1ccc2[nH]c(nc2c1)S(=O)Cc1ncc(C)c(OC)c1C T12308
COc1ccc2[nH]c(nc2c1)S(=O)(=O)Cc1ncc(C)c(OC)c1C T12309
O[N+]([O-])=O.CC[C@H]1[C@@H](Cc2cncn2C)COC1=O T1231
CN1CCN(CC1)c1ccc(Nc2ncc3NC(=O)\C(Sc3n2)=C\c2ccc(cc2)[N+]([O-])=O)cc1 T12310
Cl.CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O T12311
C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3cc(O)ccc3C(C)=C2c2ccc(O)cc2)C1 T12312
[H][C@]12C[C@@]3(C)CC[C@](O)([C@@H](C)CCC=C(C)C)[C@]3([H])C\C=C(C=O)/[C@@]1([H])C(=O)C[C@@]2(C)O T12313
COc1ccc2CC3N(CC4CC4)CCC(C)(C3=O)c2c1 T12314
C[C@@H]1CC(=O)NN=C1c1ccc(NC(C)=O)cc1 T12315
Cc1ccc(CS(=O)(=O)NC(=O)C2(C)CCN(CC2)c2nc3COC(=O)c3cc2C#N)cc1 T12316
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C T12317
CN1CCc2ccccc2Oc2ccccc2CC1 T12318
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CSSCC T12319
OC(=O)\C=C/C(O)=O.COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 T1232
Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ncccc1Cl T12320
[O-][N+](=O)c1ccc(Oc2ccc3OC(CCc3c2)c2ccccc2)nc1 T12321
OC1CCN(CC(=O)Nc2ccc(Oc3ccc4OC(CCc4c3)c3ccccc3)nc2)CC1 T12322
C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)C(C)=O T12323
Cc1ncc(n1C[C@H](O)CCl)[N+]([O-])=O T12324
OC(=O)c1c[14c](=O)[nH]c(=O)[nH]1 T12325
ClCC/C(C1=CC=CC=C1)=C(C2=CC=C(OC([2H])([2H])C([2H])([2H])O)C=C2)\C3=CC=CC=C3 T12329
CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12 T1233
Fc1ccc(cc1)C#Cc1cc(ccc1-c1ccncc1)C(=O)NCCCc1cn[nH]c1 T12330
CO\N=C1/C[C@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)C(=O)NC[C@@H](O)c1ccccc1 T12331
CO\N=C1\C[C@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)C(=O)NC[C@@H](O)c1ccccc1 T12331L
CO\N=C1/C[C@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)c1nc(C)no1 T12332
CC1=NOC([C@@H](N(C(C2=CC=C(C3=CC=CC=C3C)C=C2)=O)C/4)CC4=N/O)=N1 T12333
COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2cccc(C)c2C)cn1 T12334
CC1=NN=C(C2=CN=C(OC3=CC=CC(C)=C3C)C=N2)N1C(C=C4)=CNC4=O T12335
OC(C([2H])([2H])C([2H])([2H])C1=NC(C2=CC=CC=C2)=C(C3=CC=CC=C3)O1)=O T12336
Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1 T12338
[I-].C[N+](C)(C)CC#CCN1CCCC1=O T12339
CC1(C)OC(=O)NC1=O T1234
OC[C@@](C)(N)CCC1=CC=C(OCC2=CC=C(Cl)C(Cl)=C2)C=C1 T12342
CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O T12343
COc1cc(OC)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccncc1 T12344
CCN(CC)c1ccc(cn1)-c1nc2cc(ccc2n1Cc1ccn(CC)n1)C(=O)NC T12345
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C T12347
CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(cc12)C(=O)NCCN(C)C T12348
O.Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O T1235
Cl.NCCc1cc(O)c(O)cc1O T12352
Br.NCCc1cc(O)c(O)cc1O T12352L
[H][C@@]12CC[C@]3(C)[C@]([H])(C=CC4=C(O)C(=O)C(=O)[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C T12353
CC1=C(CCO)SC=[N+]1CC2=CN=C(C)NC2=O T12354
Cc1c(CCOP([O-])(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)[nH]c1=O T12354L
[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)C1([2H])[2H] T12355
CCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C T12356
N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12 T12359
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O T1235L
Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O T12360
CC(=O)Nc1ccc(OC2(C)OC(=O)c3ccccc3O2)cc1 T12361
Cl.CC(C)(C)NCC(O)COc1ccccc1OCC#C T12362
C[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)C)C)CC1)(CCC/2)[C@@]1(C2=C\C=C3C[C@H](C[C@@H](C/3)O)O)[H] T12363
Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CC(F)(F)F)C1 T12364
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 T12367
Cn1cnc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O T1237
Cl.NCc1cc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)nc(c1)C(F)(F)F T12371
NCc1cc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)nc(c1)C(F)(F)F T12371L
CCn1cc(cn1)-n1c(C2CC2)c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c12 T12372
CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)[C@H](Cc5c4[nH]c4ccccc54)CC[C@@]3(O)C2=CC1=O T12373
CCCCCc1cccc(CC(=O)O[Na])c1 T12375
C[C@@H](O)[C@H](N)c1nnc(o1)[C@H](CCC(N)=O)NC(=O)N[C@@H](CO)C(O)=O T12377
OC[C@@H](C(O)=O)NC(N[C@H](C1=NN=C([C@@H](N)[C@H](O)C)O1)CCC(N)=O)=O.OC(C(F)(F)F)=O T12377L
N[C@H](CO)C1=NOC([C@@H](NC(N[C@H](C(O)=O)[C@H](C)O)=O)CC(N)=O)=N1 T12378
C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc(no1)[C@@H](N)CO)C(O)=O T12378L
Cc1c(NC(=O)c2cc(CNCCO)cn3cnnc23)cccc1-c1ccc2OCCOc2c1 T12379
Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O T1238
N#CC1=C(NC(C2=NC3=C(CNCC3)S2)=O)C=CC=C1C4=CC5=C(OCCO5)C=C4.OC(C(F)(F)F)=O.[x] T12380
Cl.Cl.Cc1ccc(cc1C)N1CCN(CCC2NC(=O)c3ccccc23)CC1 T12383
Cn1c2cc(nn2c(=O)c2cc(NC(=O)c3ccccc3)ccc12)C(O)=O T12384
CN[C@@H](CC(C)C)C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1 T12385
N[C@@H](CO)c1noc(n1)[C@H](CC(O)=O)NC(=O)N[C@@H](CO)C(O)=O T12386
C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc(no1)N1CCNCC1)C(O)=O T12387
CN(C1(C)CC1)S(=O)(=O)c1ccc2n(Cc3sc(C)nc3C)c(=O)n(-c3ncns3)c2c1 T12388
C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 T12389
Brc1cn2c(nnc2c(=O)n1CC1CCCC1)C1CCOCC1 T12390
Cc1c(C)n2c(nnc2c(=O)n1CC1CCC1)C1(CC1)C1CC1 T12391
Cn1c(nc2ccc(cc12)C(=O)N1CCOC(C1CO)c1ccccc1)-c1c[nH]c2cc(ccc12)C#N T12392
Cc1nc2ccncc2n2c(nnc12)-c1ccccc1Cl T12393
COCCNc1cc(O)c2c(c1)oc1c(Cc3ccc4OCOc4c3)[nH]c(-c3nccs3)c1c2=O T12394
C[C@@H](Nc1nc2n(ncc2c(=O)[nH]1)C1CCCC1)C(=O)N1CC[C@H](F)C1 T12395
O=C1C2=C(C3=NC4=NN=NN4N=C31)C=CC=C2 T12397
Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1 T12399
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 T1240
CCN1C(=O)N(Cc2c[nH]c3nc(CN4CCOCC4)cc3c12)c1c(F)c(OC)cc(OC)c1F T12401
CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 T12402L
CCCCCN(CCCOC)C(=O)C(CCC(O)=O)CS(=O)(=O)c1ccc2ccccc2c1 T12404
CN1CCN(CC1)C1=Nc2ccccc2Sc2nccn12 T12405
NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F T12406
OC(=O)\C=C/C(O)=O.C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1 T12408
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc12 T12409
CN(C)c1nc(nc(n1)N(C)C)N(C)C T1241
Nc1ncnc2occ(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12 T12410
[H]Cl.[H]Cl.ClC1=CC=C2SC3=C(N(CCCN4C([2H])([2H])C([2H])([2H])N(CCO)C([2H])([2H])C4([2H])[2H])C2=C1)C=CC=C3 T12411
O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 T12412
Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 T12412L
OC(Cc1ccncc1)C(Cl)(Cl)Cl T12413
Cl.OC(=O)C[C@@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1 T12414
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C T12415
Cc1ccc(cc1)S(O)(=O)=O.CCNC(=O)[C@H]1C[C@@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 T12416
CS(O)(=O)=O.OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 T12417
C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1 T1242
NC(C)(C)C1=NC=C(C2=CC=C(OC(F)(F)F)C=C2)N1 T12421
Nc1nc(nc2n(C[C@H]3CN(Cc4nccs4)CCO3)nnc12)C(F)(F)F T12422
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 T12423
C[C@H]([C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C)C(N)=O T12424
Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 T12426
Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl T12428L
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 T12429
O.C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1 T1242L
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C T1243
CO[C@H](C1COC1)c1cc(Cl)c2CCN(Cc3c(OC)cc(C)[nH]c3=O)C(=O)c2c1Cl T12430
OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 T12432
CC(C)c1cnc(cc1Nc1ccncc1C(=O)NC(CO)CO)-c1cc(Cl)ccc1F T12433
Cl.Cl.Cl.CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 T12435
O=C(N(CCC1=CC=CC=C1OC)[C@H]2CNCC2)C3=CC=C(CN(CC)CC)C=C3.[H]Cl.[H]Cl T12437
O\C(C1CC1)=C(\C#N)C(=O)Nc1ccc(cc1)C(F)(F)F T12438
O=C1C2=C(O)C=C(NS(C3=C(F)C(Cl)=CC=C3)(=O)=O)C=C2OC4=C1C(O)=CC=C4 T12439
Cl.CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O T1244
O=C1C2=C(O)C=C(NS(C3=CC=C(C4=CC=CC=C4)C=C3)(=O)=O)C=C2OC5=C1C=C([N+]([O-])=O)C=C5 T12440
OS(O)(=O)=O.NNCCc1ccccc1 T12441
[2H]c1c([2H])c([2H])c(C2C(=O)c3ccccc3C2=O)c([2H])c1[2H] T12442
Cc1ccc(cc1)N(CC1=NCCN1)c1ccc(O)cc1 T12444
OC([2H])=O.[D1]O[H].C1=CC=CC=C1 T12445
[H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C T12446
[2H]c1c([2H])c([2H])c(CC(=O)N[C@@H](CCC(N)=O)C(O)=O)c([2H])c1[2H] T12447
Cc1cc(ccc1NC(=O)[C@@H](N)CCCCN)-c1nc2cc(F)ccc2s1 T12449
CP(O)(=O)C(C(=O)N\C=C\c1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12 T12450
[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.[O-]C(=O)C(=C)OP([O-])([O-])=O T12451
Cc1ccc(cc1)-c1csc(Cn2nc(CC3OCCCO3)c3ccccc3c2=O)n1 T12453
O=C(C1=C(NC(NC(C2=CC=C(Cl)C=C2)=O)=S)SC(C)=C1CC)N T12454
COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 T12455
Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1c[nH]cn1 T12456
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 T12457
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 T12458
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(Cl)c(=O)n2c1 T12459
CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C T1246
C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F T12460
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F T12462
COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 T12465
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C T12466
Cc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1 T12467
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C T12468
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C T12469
Cl.Clc1cccc(Cl)c1NC1=NCCN1 T1247
Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 T12470
COC(=O)c1cc2[nH]c(nc2cc1C)S(=O)Cc1ncccc1C T12471
[O-][N+](=O)c1ccc(cc1)-c1cn2c3CCCCc3sc2n1 T12472
COCCN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1 T12474
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F T12475
[2H]c1c([2H])c(C(CCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(F)cc2)c([2H])c([2H])c1F T12476
O.CC(N\C(Nc1ccncc1)=N/C#N)C(C)(C)C T12478
CC(C)(C)C(N/C(NC1=CC=NC=C1)=N/C#N)C T12478L
[2H]c1c([2H])c(OCCc2ccc(CC)cn2)c([2H])c([2H])c1CC1SC(=O)NC1=O T12479
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O T1248
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1 T12480
Cl.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 T12482
Cl.CCN1CCC(CC1)c1cccc(c1F)S(C)(=O)=O T12483
OC(=O)Cc1nn(cc1-c1ccc(Cl)cc1)-c1ccc(F)cc1 T12484
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])-n1cc(C)ccc1=O T12485
[2H]C1([2H])N(Cc2ccc3OCOc3c2)C([2H])([2H])C([2H])([2H])N(c2ncccn2)C1([2H])[2H] T12486
[2H]C([2H])([2H])N1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O T12487
[2H]c1c([2H])c(c([2H])c([2H])c1F)-c1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(nc2ccccc12)C1CC1 T12488
CN1CCC(CC1)=C1c2ccccc2Sc2ccccc12 T12489
OC(=O)\C=C/C(O)=O.CN1CCC(CC1)=C1c2ccccc2Sc2ccccc12 T12489L
ClCCC(=O)NCc1ccccc1 T1249
O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1 T12490
OC(=O)C(O)=O.Clc1ccc(CCCOCCCN2CCCCC2)cc1 T12491
CC(C)(C)C(=O)NCCCC(O)=O T12492
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(C)c(NC(=O)OC2CCCCC2)c1 T12493
NC1=C(C(NC2=CC=NC=C2)=O)C=C(C3=CC=CC(N4CCNCC4)=C3)C=N1 T12495
NCC1(COC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F T12496
Cn1c2nc(Cc3cc[nH]n3)sc2c2cnn(Cc3csc(N)n3)c(=O)c12 T12497
Cn1c2nc(Cc3cc[nH]n3)sc2c2cnn(Cc3cccc(N)n3)c(=O)c12 T12498
CC(C)CC1(O)CCN(CC1)C(=O)c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1 T12499
S=P(N1CC1)(N1CC1)N1CC1 T1250
C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12 T12502
Cc1ccc2N=C3N(CC[C@]3(O)C(=O)c2c1)c1ccccc1 T12503
O=C(OCC1=CC=CC=C1)C2(CC3=CC=C(S(=O)(C)=O)C=C3)N(C(C)=O)CCC2.[(+)].[Rotation] T12504
COC1=NC=C(F)C=C1CNC2=NC(F)=C(CC3=CNC4=NC=C(C)C=C43)C=C2.O=C(O)/C=C/C(O)=O.[1/2] T12505
O=C(NCc1ccccc1)C1=CC(=O)Cn2n1c(=O)n(-c1cccc(c1)C#N)c2=O T12508
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(-c2ncc(s2)C#N)c(F)c1 T12509
OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl T1251
O=S(C1=CC=C(OC(F)(F)F)C=C1)(NC2=CC=C(CCNCCC)C=C2)=O.[H]Cl T12510
[NaH].OC(=O)[C@@](O)(CSc1ccccc1)CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 T12511
CC(=O)NC[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 T12512
[H][C@]1(N(C)C(=O)c2ccc(cc12)-c1c(C)noc1C)c1ccccc1 T12513
[H][C@@]12CCc3ccc(O)cc3[C@@]1(C)CCC[C@]2(C)C(O)=O T12514
N.CCC(C)c1ccc(O)cc1 T12515
NCc1ccc(cc1)C(O)=O T1252
O.[H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(NC(=O)[C@@H](N)CCSC)C(O)=O T12520
O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](C)[C@@H](CO)O2)[C@@H](CO)O[C@@H](OC)[C@@H]1O.O=C([C@@H](/C(O[C@]3([H])C4)=C/CO)N3C4=O)O.[n].[K+] T12524
Cl.Cl.Cc1ncccc1OC[C@@H]1CCCN1 T12525
CCOc1ccc(\C=C2/C(=O)NN(C2=O)c2ccc(Cl)c(Cl)c2)cc1 T12526
CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 T12528
Cc1nn(nc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F T12529
Oc1ccc(Cl)c2CCCc12 T1253
OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F T12530
OC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O T12531
COc1cc(\C=C\C(=O)OCC2CCN(Cc3ccccc3)CC2)ccc1O T12532
CCc1c([nH]n(C2CCN(C)CC2)c1=O)-c1ccccc1 T12533
CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)CCCCl)c1ccccc1F T12534
[H][C@@]12CC[C@](O)(C(=O)COC(=O)CC(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T12535
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O T12536
CN(C)C1=NCC(C1)c1cc2ccccc2o1 T12538
Cl.CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 T12539
CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 T12539L
O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(O)N3C=Nc12)c1ccc(Cl)cc1 T12541
O=C([O-])CCC(NC(C1=CC=CC=C1)=O)C(N(CCC)CCC)=O.[Ca+2].[1/2] T12544
ClC(C=C1)=CC=C1NC(NC(NC(C([2H])([2H])[2H])C([2H])([2H])[2H])=N)=N T12545
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C=O T12546
OC(=O)CNC(=O)c1ncc(cc1O)-c1cn(CCCc2ccc(Cl)cc2)nn1 T12547
Cl.[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])NCC(O)COc1ccccc1C(=O)CCc1ccccc1 T12548
CCC(=O)NS(=O)(=O)c1cc(Nc2ncc(F)c(Nc3ccc(OCC#C)cc3)n2)ccc1C T12549
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O T1255
Cl.[2H]C([2H])([2H])C([2H])(NCC(O)COc1cccc2ccccc12)C([2H])([2H])[2H] T12550
CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(O)=O)C1CC1 T12557
COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(O)=O)c1ccc(Cl)cc1 T12558
COc1ccc2c(c1)nc(N\N=C\c1ccnc3ccccc13)c1cccn21 T12563
COc1ccc(cc1)-c1oc2c(OC)c(O)cc(O)c2c(=O)c1O T12564
Cl.C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1 T12565
Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2cc(O)cc(O)c2C1 T12566
Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 T12568
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O T1257
CC([O-])=O.C1Oc2cc3CC[n+]4cc5cc6OCOc6cc5cc4-c3cc2O1 T12570
[2H][13C]([2H])([2H])[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O T12571
COc1ccc(cc1)[C@@H]1N(CCc2c1[nH]c1ccc(Cl)cc21)C(=O)Oc1ccc(Cl)cc1 T12574
Cc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(cc2)C(F)(F)F)n1 T12575
C[C@@H]1Cc2cc(C)c(CCO)c(C)c2C1=O T12576
OP(O)(=O)C(F)(F)c1cc2cc(ccc2cc1Br)C#N T12577
O=C1/C(CNC/C1=C\C2=CC=C(Cl)C(Cl)=C2)=C/C3=CC=C(Cl)C(Cl)=C3.[(E)].[(E)] T12578
Clc1ccc(C=C2CNCC(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl T12579
COc1ccc2cc(CCC(C)=O)ccc2c1 T1258
OC(=O)c1cc(O)c(=O)c2c(O)c(O)c(O)cc2c1 T12582
Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O T12584
Cl.Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cccnc12 T12585
CC(N1C/C(F)=C/CN)=C(C2=CC=CC(S(N(C)C)(=O)=O)=C2)C3=C1C=CC=N3.Cl T12585L
[Br-].[2H]C([2H])([2H])N(C(=O)Oc1ccc[n+](C)c1)C([2H])([2H])[2H] T12587
OCC1=C(CN)C(O)=C(C)N=C1 T12588
Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1 T12589
On1ccccc1=S T12593
CC(CN1CCCC1)C(Cc1ccccc1)(OC(C)=O)c1ccccc1 T12595
CN1CC\C(=N/O)c2ccn(CCCCN3CCC(CC3)C(=O)c3ccc(F)cc3)c2C1=O T12596
Cn1ccc2c1C(O)CCN(CCCN1CCN(CC1)c1ccc(F)cc1)C2=O T12597
Cn1cc(cn1)-c1ccc2n(cnc2c1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1 T12598
Cc1c(cnn1-c1nn2cccc2c(=O)[nH]1)C(=O)N1CCN(CC(F)(F)F)CC1 T12600
[H][C@@]12C[C@]1([H])c1ccc(F)c(C(=O)OCOC(=O)COC(C)=O)c1OB2O T12601
[H][C@@]12C[C@]1([H])c1ccc(F)c(C(=O)OCOC(=O)COC)c1OB2O T12602
[Na+].[Na+].[H][C-]12CC1c1ccc(F)c(C([O-])=O)c1[O-][B+3]2([O-])[O-] T12603
OB1Oc2c(ccc(F)c2C(O)=O)[C@H]2C[C@@H]12 T12604
Cl.[H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC T12605
Cl.[H][C@]12CCCN(CCC)[C@]1([H])Cc1cn[nH]c1C2 T12606
[Cl-].CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C T12608
COC(=O)c1ccc2[nH]c(nc2c1)C1CCN(CC1)c1ncnc2[nH]cc(Cl)c12 T12609
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C T1261
CN(C1CCCCC1)C(=O)CO\N=C(\c1ccccc1)c1ccc2N=C3NC(=O)CN3Cc2c1 T12611
O=C(N(C1CCCCC1)C)CO/N=C(C2=CC=CC=C2)/C3=CC4=C(N=C(NC(C5)=O)N5C4)C=C3.[(E)] T12611L
CCOc1cc(ccc1OC)[C@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O T12612
N#CC1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)C(N(C)[C@H]1C3=CC=C(C#N)C=C3S(=O)(C)=O)=O T12613
CN1[C@@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N T12613L
O[C@H]1[C@H]2C[C@@H]3[C@@](C4=CC=CC=C4)(CC(N5CC(O)C5)=O)[C@@H](C[C@H]1C3)C2 T12614
O[C@@H]1[C@H]2C[C@@H]3[C@@](C4=CC=CC=C4)(CC(N5CC(O)C5)=O)[C@@H](C[C@H]1C3)C2 T12614L
COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 T12615
C[C@@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O T12616
CC1CCc2c(Br)c(F)c(Br)cc2N1C=O T12616L
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 T12617L
OCCOC([2H])([2H])C([2H])([2H])N(CC1)CCN1C2=NC(C=CC=C3)=C3SC4=C2C=CC=C4.O=C(O)/C=C/C(O)=O.[0.5] T12618L
OCCOCCN1CCN(CC1)C1=Nc2ccccc2S(=O)c2ccccc12 T12619
Cl.Cl.OCCOCCN1CCN(CC1)C1=Nc2ccccc2S(=O)c2ccccc12 T12619L
OCCOCCN(CC1)CCN1C2=NC(C=CC=C3)=C3S(C4=C2C=CC=C4)=O.Cl[H] T12619L2
N12[C@H]([C@](S(=O)(=O)[C@@H]1CC2=O)(C)Cn1nncc1)C(=O)O T1262
CCN(CCO)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 T12622
OC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1 T12624
CC(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 T12627
CC(C[C@H](NC([C@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)CC(C)C)=O)CC(C)C)=O)C=O)C T12628
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C T1263
Br.Br.C[C@@H](N)Cc1cnc[nH]1 T12630
[H][C@]12C3=CC=CC=C3CC4=CC=CN=C4N1CCN(C([2H])([2H])[2H])C2 T12631
CN1CCN2[C@@H](C1)c1ccccc1Cc1cccnc21 T12632
[H][C@]12CN(C)CCN1c1ncccc1Cc1ccccc21 T12632L
COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 T12633
C1N[C@H](CC=C1)c1cccnc1 T12636
N[C@@H]1CCN(O)C1=O T12637
[H][C@@]12CN(CC(=O)N1CCc1ccccc21)C(=O)C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H] T12638
OC(=O)C([C@@H](CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O T12639
CC(C)(Oc1ccc(cc1)C1CC1(Cl)Cl)C(O)=O T1264
[Br-].C[N+]1(C)CC[C@H](C1)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 T12640
CCOC(=O)[C@H](CCSC)NC(=O)[C@H](CSC(C)=O)Cc1ccccc1C T12641
CCOC(=O)[C@H](CCSC)NC(=O)[C@@H](CSC(C)=O)Cc1ccccc1C T12641L
Cc1n[nH]cc1-c1cc2[nH]c(nc(=O)c2s1)[C@H]1CC2CCN1CC2 T12642
Cc1n[nH]cc1-c1cc2[nH]c(nc(=O)c2s1)[C@@H]1CC2CCN1CC2 T12642L
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)[C@H]1CCCO1 T12643
O=C1N([C@@H]2CCC(=O)NC2=O)C(=O)c2ccccc12 T12644
O=C1N([C@H]2CCC(=O)NC2=O)C(=O)c2ccccc12 T12644L
O=C([C@@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1)O T12645
Cl.COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC T12646
Cc1cc(ccc1Cl)[C@@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 T12647
O=C(C1=CC=NC2=C([C@@H](C)CNC3=CC(C4=C([2H])N=C(C)N=C4[2H])=NC=N3)C=CC=C12)NC T12648
CC1CCc2c(C)c(F)cc3c2n1cc(C(O)=O)c3=O T12649
Nc1cc(c[nH]c1=O)-c1ccncc1 T1265
CC(C)n1c(\C=C\C(=O)CC(O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 T12652
Cl.Cl.NC1CCN(C1)c1cccnc1 T12653
CC1=C(C(Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 T12654
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1OC)C(CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O T12656
CNCCC(C1=CC=CC=C1)OC2=C(C([2H])=C([2H])C([2H])=C2[2H])C([2H])([2H])[2H].[H]Cl T12657
CC(Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 T12658
CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 T1266
CNC(=O)N1N=C(c2ccc(cc2)N2CCN(C)CC2)c2cc(OC)c(OC)cc2CC1C T12660
CNC(=O)N1N=C(c2ccc(cc2)N2CCN(C)CC2)c2cc(OC)c(OC)cc2C[C@@H]1C T12660L
OC1[C@H]2C[C@@H]3[C@@](C4=CC=CC=C4)(CC(N5CC(O)C5)=O)[C@@H](CC1C3)C2 T12663
CCC1(C2=CNNC2=NC2=C1C(=O)CC(C)(C)C2)c1ccccc1 T12664
CC1C(CC(=O)N1CC(N)=O)c1ccccc1 T12665
N#CC1=NC=NC(N2CCC(C(N3N=CCC3C4=CC(F)=CC(F)=C4)=O)CC2)=C1 T12666
COc1ccc(cc1O)C1CC(=O)c2c(O)cc(O)cc2O1 T12667
CC(NC(=O)c1ccc(F)cc1)c1ccc2N(CCc2c1)C(=O)C1CCOCC1 T12668
CCC(C)C(N)C(NCCN1CCOCC1)=O.[H]Cl.[H]Cl T12669
[C@H]1(C=C[C@@H](C1)n1cnc2c1nc(nc2NC1CC1)N)CO T1267
[2H]c1c([2H])c([2H])c(C(O)CNCCc2ccc(NC(=O)Cc3csc(N)n3)cc2)c([2H])c1[2H] T12671
O=C(C1=C(N)N(C2CN(C#N)CCC2)N=C1C3=CC=C(OC4=CC=C(F)C=C4F)C=C3)N T12673
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@H]1CCCN(C1)C#N T12673L
OC1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)F T12675
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)F T12675L
OC1=C2CCC(N(CCC)CCC3=CC=CS3)CC2=CC=C1.[H]Cl T12676
CNCC1OCCc2ccsc12 T12677
CCOC(=O)N1CSCC1C(O)=O T12678
Cc1cc(ccc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 T12679
Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COC(=O)CO)C=C3)c2n1 T1267L
CCOC(=S)SSC(=S)OCC T1268
NC(=O)C(C1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 T12680
OC1CCN2Cc3ccccc3N=C12 T12681
Cl.C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 T12683
OC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(C1=O)c23 T12684
CC(O)C(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 T12689
Cl.CN(C)CCN(Cc1ccccc1)c1ccccn1 T1269
CS(O)(=O)=O.[13CH]#[13C][13CH2]NC1CCc2ccccc12 T12693
C1SSCc2ccccc12 T12696
[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 T12698
OC1=C(C)C(C)=C2C(CC[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)O2)=C1C.[Relative T12699
N[C@H]1[C@H](C2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])C1.[H]Cl.[Relative T12701
Cl.OC(=O)[C@@H]1CCCN(CCC=C2c3ccccc3CCc3ccccc23)C1 T12703
OC(=O)[C@@H]1CS[C@@H](N1C(=O)CCS)c1ccccc1O T12704
NCCCC[C@H](N)C(O)=O.CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O T12705
CC\C=C/C[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)C\C=C/CCC(O)=O T12707
Oc1ccc(\C=C\c2cc(O)cc(F)c2)cc1 T12708
CC(=O)Oc1ccc(\C=C\c2cc(O)cc(F)c2)cc1 T12709
Cc1ccc(s1)C1Nc2ccccc2C(=O)N1c1ccccc1 T12711
CCCCCCC\C=C\C(=O)N1[C@H](CC(C)C)C(=O)C(C(C)=O)=C1O T12712
CC(=O)N1CCC(Cn2cnc3scc(-c4ccc(C)o4)c3c2=O)CC1 T12713
O=C(C1=C2N(C(C3=CC=CC=C3)=CC(C4=CC=CC=C4)=N2)N=C1)NCCCN5CCOCC5 T12714
Cc1cc(\C=C\C#N)cc(c1Nc1nc(Nc2ccc(cc2)C#N)nc2ccccc12)[N+]([O-])=O T12715
Clc1cc2C3CCCCC3Oc2c(c1)C(=O)NC1CN2CCC1CC2 T12716
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1 T12717
CC1=CC(C2CCN(C)CC2)=CN3C1=NC(C4=NN(C=C(C)N=C5CC)C5=C4)=CC3=O.[xHCl] T12718
CCc1nc(C)cn2nc(cc12)-c1cc(=O)n2cc(cc(C)c2n1)C1CCN(C)CC1 T12718L
COCCCOc1cc2C[C@@H](C(C)C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC T12719
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 T1272
CN1Cc2cc(ccc2NC1=O)C1=N[N]C(=O)CC1 T12720
CSc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1 T12721
O=C1C=C(C2=CC=CS2)NC(C3CCCN(CC4=CN(C5=NC=CC=N5)C=N4)C3)=N1 T12722
O=c1cc([nH]c(n1)[C@H]1CCCN(Cc2cn(cn2)-c2ncccn2)C1)-c1cccs1 T12722L
O=C1N=C([C@H](CCC2)CN2CC3=CN(C4=NC=CC=N4)C=N3)NC(C5=CC=CS5)=C1 T12723
CN(C)CCNC(=O)Nc1nc2ccc3sc(C)nc3c2s1 T12724
CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N T12725
NC(=O)c1c2N[C@H]3C[C@H](C[C@@H]3O)Cn2nc1-c1ccc2scnc2c1 T12727
COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C T12728
COc1ncc(cc1C(=O)NC(C)c1ccccc1OC(F)(F)F)-c1ccn2nc(N)nc2c1 T12729
CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O T1273
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1 T12730
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 T12731
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1 T12733
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)C(=N/O)\c1ccc(F)cc1F T12734
[2H]c1c([2H])c(c([2H])c([2H])c1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O)N1CCOCC1=O T12736
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl T12737
CNCC/C=C/C1=CC=CN=C1.OC(C(O)=O)=O.[0.5] T12738
CNCC\C=C\c1cccnc1 T12738L
CNCC/C=C/C1=CC=CN=C1.OC(C(O)=O)=O T12739
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 T1274
CN(C)CCOc1ccc2c(c1)oc1cc(OCCN(C)C)ccc1c2=O T12740
CC1N2Cc3c(NC2=NC1=O)ccc(Br)c3C T12741
COc1cc(cc(OC)c1OC)C(O)c1cnc(N)nc1N T12742
C[C@@H](N1CN([C@H]2c3ccccc3CSc3ccccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F T12743
CC[C@@H](C[C@H]1COC(N)=N1)c1ccccc1 T12744
CC1=C([C@@H]2N=C(N)OC2)C=CC=C1F T12745
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 T12746
N(c1nnc(s1)-c1cccc(c1)-c1ncco1)c1ccc2[nH]ncc2c1 T12747
Oc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl T12749
CS(O)(=O)=O.Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 T1275
C[C@H]1CN(Cc2c(C)c(NC(=O)c3cnc(C)nc3)cn3ccnc23)CCN1C(=O)C1CCCC1 T12754
OC(=O)C(O)=O.OC(=O)C(O)=O.C(CNc1nc2ccccc2[nH]1)Cc1cnc[nH]1 T12756
C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 T12758
OC(=O)\C=C/C(O)=O.C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 T12758L
CS(O)(=O)=O.CN1C[C@@H]2C[C@H]1CN2c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T1276
OC1=C(CC[C@H](N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])CCC2=CC=CS2)C3)C3=CC=C1.[H]Cl T12760
Cl.Cl.Cc1ncc(CN2CCC(=CC2)c2ccccc2)c(N)n1 T12761
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C T12762
O[C@H]1CCN(C1)C(=O)c1cc(-c2ccccc2)c(=O)n2CCc3ccc(Cl)cc3-c12 T12763
CCN(CC)CC.[H][C@@]12CO[P@](S)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12 T12764
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccc2ncccc2c1 T12765
Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 T12767
Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 T12768
Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O T1277
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 T12770
NC(C(O)=O)c1ccc(cc1)P(O)(O)=O T12772
Cl.FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1 T12773
COc1ccc(cc1-c1nnc2c3ccccc3c(C)nn12)S(=O)(=O)N(C)CCO T12774
Fc1ccccc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O T12775
OC(=O)CN(CC(O)=O)C(=O)C(=C\c1cc2ccc(cc2oc1=O)N1CCC1)\C#N T12776L
COCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]1C[C@H]1c1ccccn1 T12778L
COc1nc2nc(cn2c2CCCCc12)C(=O)c1ccccc1 T12779
COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 T1278
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2C(CCc12)NCCC(O)=O T12780
Cl.CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2C(CCc12)NCCC(O)=O T12780L
Oc1cc(O)cc(\C=C\c2ccnc3ccccc23)c1 T12781
Cc1cccc(c1)S(=O)(=O)Nc1ccc(C)n(CC(=O)NCCONC(N)=N)c1=O T12782
Cc1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCO T12783
CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)s1 T12784
CCc1cc(O)cc2c(\C=N\NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12 T12785
COc1cccc(CC(C)C(=O)Nc2ccc3nc([nH]c3c2)-c2cscn2)c1 T12786
CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C T12787
C[C@@]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1 T12788
C\C=C\SC[C@H](N)C(O)=O T12789
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N T1279
OP(O)(O)=O.C1Cc2ncc3nc([nH]c3c2CO1)-c1ccon1 T12792
CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 T12793
COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 T12794
C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@@](C)(=N)=O T12795
Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1=O T12796
CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1 T12797
Cl.CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1 T12797L
CCN(CCO)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 T12799
NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N T1280
[2H]C([2H])([2H])[C@H](C(O)=O)c1ccc(CC(C)C)cc1 T12800
C[C@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCc2c1)C(=O)C1CCOCC1 T12801
OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1 T12802
[H][C@@]12C3=CC=CC=C3CC4=CC=CN=C4N1CCN(C([2H])([2H])[2H])C2 T12806
COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 T12807
CC(=O)NC(C(O)=O)C(C)(C)SN=O T12808
C[C@]1(O)CCC[C@@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O T12809
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1 T1281
C[C@H](O)CO T12810
CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 T12811
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc2ccccc12)c1ccccc1 T12812
C[C@@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O T12814
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCO1 T12815
Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(O)=O T12816
CC(C)[C@H](N1C(=O)c2ccncc2C1=O)C(O)=O T12817
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 T12818
CCN(CC)CCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 T12819
Cl.CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 T1282
N(\CCC)=C\1/N(C(=O)\C(=C\C2=CC(C)=C(OC(C)=O)C=C2)\S1)C3=C(C)C=CC=C3 T12821
CCNc1ccccc1CS(=O)c1nc2cc(OC)c(OC)cc2[nH]1 T12822
COc1cc(cc(OC)c1OC)C(=O)c1ccc(cc1-n1cncn1)-c1csc(N)n1 T12823
[Br-].COC1CC(C[N+](C)(C)C1)=C(c1cccs1)c1cccs1 T12825
CNC(=O)COC(=O)N1CCC(CCc2ccc(Cl)cc2)CC1 T12826
COc1ccc2c(cccc2c1)C1COC(CCCNC(=O)OCC(N)=O)OC1 T12827
OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)[C@]2(O)C=CCCC2=O)[C@H](O)[C@@H](O)[C@@H]1O T12828
OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 T12829
c12n(C3CC3)cc(c(=O)c1cc(c(c2Cl)N1CC(CC1)N)F)C(=O)O T1283
CCCCCCCCC\C=C/CCCCC(=O)O[Na] T12830
CCCCCCCCC\C=C/CCCCC(O)=O T12830L
C[C@@H]1COCCN1c1cc(=O)n2CC[C@@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F T12831
C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F T12831L
NC(=N)N\N=C1/CCc2c1cccc2C(N)=N T12833
CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(O)=O T12835
c1(NC[C-]23[C]4(=C5C6=C2[Fe++]34562345C6=C2[C-]3C4=C56)CNCCO)c2c(ncc1)cc(Cl)cc2 T12837
[Fe++]123456789C%10=C1C2=[C]3(CN(CCO)C)[C-]4%10CNc1c2ccc(cc2ncc1)Cl.[C-]51C6=C7C8=C91 T12838
C12=C3[C-]4C5=C1[Fe++]23451234C5=C1[C-]2(CNc1c2c(cc(Cl)cc2)ncc1)[C]3(CN(CCO)CC)=C45 T12839
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C T1284
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 T12842
O=S(C1=CC=C(OC)C(N2CCNCC2)=C1)(NC3=CC(Cl)=CC(Cl)=C3OC)=O.[H]Cl T12843
Cl.CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 T12844
CCOC(=O)CCc1ccc(C#N)c(OC[C@H](O)CNC(C)(C)CC2Cc3ccccc3C2)c1 T12845
CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(O)=O)ccc1C#N T12846
N[C@H](CCC1)CN1[C@H](Cc1c2cccc1)[C@@H]2Oc(ccc(C#N)c1)c1Cl T12849
Cl.Cl.N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N T12849L
COc1ccc(cc1)-c1cc(=S)ss1 T1285
Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2n(-c3c(F)cccc3F)c(=O)ccc12 T12850
COc1ccc(cc1)-c1csc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)n1 T12853
O=C(NCc1ccncc1)Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2 T12854
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1 T12855
N#CC(CCCN1CCN(CC1)N=Cc1cccnc1)(c1ccccc1)c1ccccc1 T12856
NC(=N)c1ccc(CCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 T12857
CC(C)N(CCC(CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)=O T12858
Cl.Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F T12859
CCC12CCCN3CCc4c(C13)n(c1ccccc41)C(O)(C2)C(=O)OC T1286
CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(F)cc1 T12860
O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 T12861
CS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(F)cc1 T12862
[Na+].CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC([O-])=O)cs1 T12863
Cl.CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO T12864
OC(=O)\C=C/C(O)=O.CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 T12865
CCOC(=O)[C@H](CCSC)NC(=O)C(CSC(C)=O)Cc1ccccc1C T12866
Cl.CC1(C)CO[C@@H](CC(O)=O)CN1 T12867
CC1(C)CO[C@@H](CC(O)=O)CN1 T12867L
Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nc(nn12)-c1ccco1 T12868
[H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2nc(CCCCCC)[nH]c12 T12869
CNCC(O)c1ccc(O)cc1 T1287
Cl.Cl.CC(C)c1ccc(Cn2ccc3c2ccc2nc(NC4CC4)nc(N)c32)cc1 T12870
N.N[C@@H](Cc1cc(CP(O)(O)=O)cc(c1)-c1ccccc1Cl)C(O)=O T12872
COCCn1c(N[C@@H](CO)c2ccc(OC)c(OC)c2)nc2n(C)c(=O)n(C)c(=O)c12 T12873
[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T12874
COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N1C[C@@H](CO)c2c1cc(O)c1ccccc21 T12875
O=C([O-])COC1=CC=C(SC[C@H](OCC)COC2=CC=C(C(F)(F)F)C=C2)C=C1C.[Na+] T12876
Cl.Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1 T12877
Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1 T12877L
CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 T12879
C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C T1288
O=C1CCC(=NN1)c1ccc(Nc2ccncc2)cc1 T12881
CCCCCc1cccc(CC(O)=O)c1 T12883
CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 T12885
C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4n(C)ncc4c3)ccc2[nH]1 T12886
N[C@@H](Cc1cc(CP(O)(O)=O)cc(c1)-c1ccccc1Cl)C(O)=O T12889
Cl.N[C@@H](Cc1cc(CP(O)(O)=O)cc(c1)-c1ccccc1Cl)C(O)=O T12889L
Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 T12890
Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 T12891
COc1c2CCOc2c(Cc2ccc3OCCOc3c2)cc1[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O T12893
C[C@@H]1OC(O)[C@@H](F)[C@H](O)[C@@H]1O T12894
Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1 T12895
OCC1=CC(C2=CC=CC=C2)=CC([C@]3(C(C(C)=NN4)=C4OC(N)=C3C#N)C(C)C)=C1 T12897
CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(CO)cc(c1)-c1ccccc1 T12897L
OCC1=CC(C2=CC=CC=C2)=CC([C@@]3(C(C(C)=NN4)=C4OC(N)=C3C#N)C(C)C)=C1 T12898
CNC[C@@H]1OCCc2ccsc12 T12899
Cl.CNC[C@@H]1OCCc2ccsc12 T12899L
O[N+]([O-])=O.Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 T1290
CN1CCC2=C(C1)c1ccccc1Cc1ccccc21 T12900
OC(=O)\C=C/C(O)=O.CN1CCC2=C(C1)c1ccccc1Cc1ccccc21 T12900L
C[C@@H](Oc1cncc(c1)-c1cnc(N)nc1)c1c(Cl)ccc(F)c1Cl T12901
Cc1n[nH]c2OC(N)=C(C#N)C(C3CCC3)(c12)c1cc(Cl)cc(Cl)c1 T12902
N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 T12903
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COC)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl T12904
Cl.C\C(=N/Nc1nc2ccccc2n1C)c1ccccn1 T12906
CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T12908
CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC T1291
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1 T12910
COc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1 T12911
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1 T12912
CN\C(NC#N)=N/c1ccc(cc1)C1=NNC(=O)CC1C T12913
OCCN(CCO)CC(=O)N1c2ccc(Cl)cc2NC(=O)c2ccccc12 T12914
COC(=O)[C@@H]1[C@H](O)[C@]2(O)c3c(O[C@@]2([C@H]1c1ccccc1)c1ccc(OC)cc1)cc(O)cc3OC T12915
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(O)cc3OC T12916
CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O T12918
CS(=O)(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O T12919
Cl.CCN(CC)CCNC(=O)c1cc(ccc1OC)S(C)(=O)=O T1292
COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12 T12923
Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl T12924
O=C1c2nc(oc2C(=O)c2ccccc12)-c1cccnc1 T12926
C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCC2)n1 T12927
Cl.OC(=O)c1ncccc1S T12929
COc1c2n(cc(C(=O)O)c(=O)c2cc(F)c1N1CCNC(C)C1)C1CC1 T1293
Cl.OC(=O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 T12930
Clc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 T12931
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C)nc3)c2n1 T12933
CCN1CCC(CC1)c1cc(C)c2nc(cc(=O)n2c1)-c1cc2c(C)nc(C)cn2n1 T12935
CNC(=O)NCCn1c(cs\c1=N/c1cccc(F)c1)-c1ccc(cc1)N1CCOCC1 T12936
CN1CCN(CC1)c1c(F)cc2c(c1F)n(CCF)cc(C(O)=O)c2=O T1294
Cc1cc(C)c(C2=NOC3C4CCC(C4)C23)c(C)c1 T12941
Fc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12 T12948
[Na+].COc1ccc(cc1S([O-])(=O)=O)-c1coc2cc(O)ccc2c1=O T12949
N.[Na+].CCCCCCCCCCCCOCCOS(O)(=O)=O T12950
Clc1ccc(Oc2cccc(c2)-c2nc3ccccc3n2CCN2CCCCC2)cc1Cl T12951
O.O.[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O T12952
Nc1ccc(C(O)=O)c(O)c1 T1296
COc1cc(CC=C)ccc1O T1297
O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 T12970
Cl.O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 T12970L
[H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C T12971
CCCCCCCCCCC[C@@H]1CCC[C@@H](C)N1 T12972
Cl.[2H]c1c([2H])c([2H])c([C@@H]2N(CCc3ccccc23)C(=O)O[C@H]2CN3CCC2CC3)c([2H])c1[2H] T12973
FC(F)Cn1nc2ccc(cn2c1=O)C(=O)NCc1ccc(cc1OC(F)(F)F)C#N T12974
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(=C)CO)[C@@]4(CCC(=O)OC)C[C@@]34CC[C@]12C)[C@H](C)CC\C=C(/C)C=O T12975
[2H]c1c([2H])c(Oc2ccnc(c2)C(=O)NC)c([2H])c([2H])c1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F T12976
COCCO[C@H]1[C@H](O)[C@H](Nc2c1ccn1c(C)c(C)nc21)c1ccccc1 T12977
[O-][N+](=O)c1ccccc1\C=C\C=C1c2ccccc2-c2ccccc12 T12978
COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]1CCOC1 T12979
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 T1298
Cl.[2H]C([2H])([2H])C(NCC(O)c1ccc(NS(C)(=O)=O)cc1)C([2H])([2H])[2H] T12980
[H][C@@]12C[C@@]([H])(C(\C=C\c3cc(O)c(O)c(OC)c3)=CC1=O)C2(C)C T12981
OP(=O)(CC(=O)N[C@@H](CC(=O)O[Na])C(=O)O[Na])O[Na] T12983
CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)c1ccc(Cl)cc1Cl T12987
Cn1cc(C2=NCC3(CN4CCC3CC4)O2)c2ccccc12 T12988
OCc1cccnc1 T1299
NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1 T12990
COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O T12993
OC(=O)CCNC(=O)C(CS)Cc1ccccc1 T12994
Nc(n(-c1ccccc1)nc1)c1C(NCc(cc1)ccc1C(NCCCC1CCCCC1)=O)=O T12997
CC(C)(C)Oc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1 T12998
NC(=N)c1ccc(cc1)-c1csc(n1)N(CCC(O)=O)C1CCN(CC(O)=O)CC1 T12999
COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12 T13003
COc1ccc(cc1)-n1cnc2cc(NCc3ccc(cc3)C(C)C)ccc12 T13006
CC(C1=CC=C(CNC2=CC=C3C(N=CN3C4=CC=C(OC)C=C4)=C2)C=C1)C.[H]Cl T13006L
CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN(C)C.C(=O)(C(=O)O)O T13007
CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 T13008
COc1cc(OC)cc(\C=C\c2ccc(NC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)cc2)c1 T13009
COc1ccccc1O T1301
CC(C)C[C@H](N)[C@@H](O)CC(O)=O T13011
CCCCCCCCCCCCCCCCCCN(CCO)CCO T13012
OC(=O)C(O)=O.CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc12 T13016
Cl.CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc12 T13016L
COc1ccc(CCNc2ncc3c(n2)[nH]c(=O)n(-c2cccc(F)c2)c3=O)cc1OC T13017
Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1 T13018
[Na]OC(=O)CCC(=O)P(=O)(O[Na])O[Na] T13019
OC(=O)CCC(=O)P(O)(O)=O T13020
CS(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1 T13021
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)Nc1ncccn1 T13023
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)Nc1cc(OC)nc(OC)n1 T13024
CCCN(CCN1CCN(CC1)c1ccccc1OC)C1CCc2ncsc2C1 T13025
Cl.CCCN(CCN1CCN(CC1)c1ccccc1OC)C1CCc2ncsc2C1 T13025L
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)Nc1nc(OC)cc(OC)n1 T13026
CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 T13027
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)Nc1nccc(C)n1 T13028
[Na+].Cc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)n1 T13029
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)Nc1nc(C)cc(C)n1 T13030
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)Nc1cc(C)on1 T13031
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)Nc1cc(OC)ncn1 T13032
CC(C)Oc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N)cc1 T13033
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)\N=c1\cccc[nH]1 T13034
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)Nc1nccs1 T13035
O=S(C(C1)C(N(OC(CCCCCCC/C=C\CCCCCCCC)=O)C1=O)=O)(O[Na])=O T13036L
O=C(O)CC(C1=C/2C=CC(F)=C1)=C(C)C2=C\C3=CC=C(SC)C=C3 T13037
[2H]C([2H])([2H])C([2H])([2H])N(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)C([2H])([2H])C([2H])([2H])[2H] T13039
Cl.Cl.OC(=O)COC\C=C\CN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1 T13040
OC(=O)CCCc1nc(c(o1)-c1ccccc1)-c1ccc(Cl)c(Cl)c1 T13042
COc1nnc(o1)-c1cc2CN(Cc3ccccc3)CCc2[nH]c1=O T13043
Cc1cc(Nc2nccc(C)n2)cc(c1)-c1cnc(s1)[C@@]1(O)CC[C@H](C(O)=O)C(C)(C)C1 T13045
Cc1ccc2nc(cc(NCC3(N)COC3)c2c1)N1CCS(=O)(=O)c2ccccc2C1 T13046
COc1ccc(OC)c(c1)-c1ccc(NC(=O)c2ccncc2F)cc1 T13047
Oc1nc(-c2cccc(c2)[N+]([O-])=O)c(c(c1C#N)C(F)(F)F)[N+]([O-])=O T13048
NC(=N)c1ccc(Nc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1 T13049
N=C(C1=CC2=C(C=C1)C=C(C3=CC=C(NC4=CC=C(C(N)=N)C=C4)C=C3)N2)N.Cl T13049L
CC1(C)Oc2ccc(C(=O)\C=C\c3cccs3)c(O)c2C=C1 T13050
Cc1c(O)c(C)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1 T13051
Cl.N[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1 T13052
OCc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F T13054
Cl.Cn1cc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1 T13055
Cc1nnc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2NC2CCC2)s1 T13056
O=C(NC1=NN=C(C)S1)C2=CC=CC([C@H]3[C@H](NC4CCC4)C3)=C2.O=C(O)/C=C/C(O)=O.[1/2] T13057
CNc1nc(NCc2ncccn2)c2c(c[nH]c2n1)-c1ccc2ncccc2c1 T13058
CCc1c(C)nc(SCC(=O)Nc2nc(cs2)-c2ccc(OC)cc2)nc1O T13059
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 T1306
CC(C)n1nc(Cc2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12 T13061
CC(C)n1nc(Cc2cccc(c2)C(=O)CF)c2c(N)ncnc12 T13062
BrC1=CC(S(=O)(N2CCN(C(N[C@H](C3=CC=CS3)C)=O)CC2)=O)=CC=C1 T13063
C(Oc1cc(OCc2ccccc2)c2c(coc2c1)-c1ccccc1)c1ccccc1 T13064
Cc1c(F)c2CN([C@H]3COCC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1cccn1 T13066
OB([C@@H]1N(C([C@H](N)C(C)C)=O)CCC1)O.CS(=O)(O)=O T13069
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O T1307
Nc1nc2CCN(CC=C)CCc2s1 T13070
C#CCO[C@H]1CN2CC[C@H]1CC2 T13071
CC(O)=O.CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O T13072
[2H]C([2H])([2H])C([2H])([2H])C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)\c1ccccc1 T13076
Cl.Cl.NCCN[C@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O)CC1 T13077
NCCN[C@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O)CC1 T13077L
CC(C)(O)c1ccc(cc1)-c1nc2c(F)cc(F)cc2c(=O)[nH]1 T13078
Cl.CN(C)CCOC(c1ccccc1)c1ccccc1C T1308
COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(NC(C)CCCN)c2n1 T13083
CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3cccc4CCCn2c34)C1=O)c1ccccc1 T13084
COc1ccc-2c(c1)C(=N[C@@H](CC(O)=O)c1nnc(C)n-21)c1ccc(Cl)cc1 T13086
C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 T13089
CCCc1cc(=O)[nH]c(S)n1 T1309
O=S(CCNC(CCNC(OCC1=CC=CC=C1)=O)=O)(O)=O.[1/2Zn] T13094
COc1cc(cnc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(c3)C#N)c2o1)C(=O)N(C)C T13097
FC(F)(F)c1cccc(c1)-c1ccc(cc1)C(=O)Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1 T13098
Cl.Cl.CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 T13099
Sc1nccc(=O)[nH]1 T1310
COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)c(Br)c2)C1=O T13100
Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1 T13101
CCN(CC)Cc1ccc(OC)c(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(C(O)=O)c(c1)C(C)C T13102
Nc1cccc2nnn(C3CCC(=O)NC3=O)c(=O)c12 T13104
CC(C)(C)N1C(=O)OC2(CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=C T13107
COc1cc2c(OCCN3CCCC3)nc3c4cc5OCOc5cc4ccc3c2cc1OC T13109
Nc1ccc(cc1)C(O)=O T1311
Br.Cc1ccc(Sc2ccccc2C2CCNCC2)cc1 T13110
Fc1cn(C2CCCO2)c(=O)n(C2CCCO2)c1=O T13111
OC(C(F)(F)F)=O.[YGRKKRRQRRRKLSSIESDV] T13112L
CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C T13113
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 T13114
Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc1ncc(Cl)cn1 T13116
Cl.CCN(CC)CC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)c1ccccc1 T13118
CC[C@H](Nc1ncnc2nc[nH]c12)c1oc2ccccc2c(=O)c1-c1cccc(F)c1 T13119
O.[Na+].CCOc1ccc2ccccc2c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O T1312
CC[C@@H](Nc1ncnc2[nH]cnc12)c1oc2ccccc2c(=O)c1-c1cccc(F)c1 T13120
[2H]C1([2H])N([C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)C([2H])([2H])C([2H])([2H])N(c2cc(C)nn2-c2ccccc2)C1([2H])[2H] T13121
OC(=O)c1ccccc1OC(=O)c1cccs1 T13122
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CNC(=O)\C(=C/c2ccccc2)N(C)C1=O T13123
CC(CCn1cnc2n(C)c(=O)n(C)c(=O)c12)NCC(O)COc1cccc2[nH]c(C)cc12 T13124
COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(C)C=Cc45)C(=O)[C@@]3(O)c2cc1OC T13126
CCNc1nc(Cl)nc(NC(C)(C)C)n1 T13127
Cl.CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C T13129
N1(CC(=O)NC1=O)/N=C/c1oc(cc1)[N+](=O)[O-] T1313
COc1cc(c(OC)c(O)c1-c1ccc(O)cc1)-c1ccc(O)cc1 T13130
O=C(OC(C)(C)C)C[C@H](O)C[C@H](O)/C=C/C1=C(C2=CC=C(F)C=C2)C3=CC=CC=C3N=C1C4CC4 T13131
O=c1nc(SCc2cccc(c2)-c2nnn[nH]2)[nH]c(-c2cccs2)c1C#N T13132
O[C@H]([C@H](CC(C)C)C1)C[C@@]2([H])N1CCC3=C2C=C(OC)C(OC)=C3 T13133
[H][C@]12CC(=O)[C@H](CC(C)C)CN1CCc1cc(OC)c(OC)cc21 T13134
[2H]C([2H])([2H])Oc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC([2H])([2H])[2H])c2)ccc1O T13135
CC(C)(C)n1nnc2c3C[C@]4(CCOc5ccccc5)CCC(=O)C=C4c3ccc12 T13136
[2H]C([2H])([2H])Oc1ccc(nc1)-c1c([nH]c2cccnc12)-c1ccnc(NC(C)=O)c1 T13137
Cc1cccc(n1)-n1nc(cc1-c1ccc2ncsc2c1)C(=O)Nc1ccc(O)cc1 T13138
Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F T13139
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl T1314
[2H]c1c([2H])c([2H])c2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1[2H] T13141
Cn1c2ncn(CCNCC(O)c3ccc(O)c(O)c3)c2c(=O)n(C)c1=O T13142
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)C(O)=O T13143
[Cl-].CC(CN1c2ccccc2Sc2ccccc12)[N+](C)(C)C T13144
O=C1SCCN1Cc1ccccc1C#N T13145
Nc1c[nH]c(=O)c2cc(sc12)-c1ccccc1 T13146
CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 T13147
Cl.NC(=O)c1nnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(F)c1 T13148
Oc1noc2CNCCc12 T13150
CNC1=NC=C(C2=NC3=CC=C(OC[C@H](CF)O)C=C3C=C2)C=C1 T13151
CNc1ccc(cn1)-c1ccc2cc(OC[C@H](O)CF)ccc2n1 T13151L
O=C(C(C1=CC=C(C(C2=CC=CC=C2)=O)S1)C([2H])([2H])[2H])O T13155
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl T13156
C\C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C T13158
[Na+].[Na+].OP([O-])(=O)C(Sc1ccc(Cl)cc1)P(O)([O-])=O T13159
Cc1cc(\N=C(/NC2CCCCC2)Nc2nccs2)c2ccccc2n1 T13160
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1nnc(SC)o1 T13162
CN\C(NC#N)=N/CCSCc1csc(NC(N)=N)n1 T13163
Cl.CN1CCCC(C1)=C(c1cccs1)c1cccs1 T13164
OC1(CC(=O)c2ccc(cc2)C2CC2)C(=O)Nc2c1c(Cl)ccc2Cl T13166
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)N T13167
CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 T13168
O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12 T1317
Fc1cccc(Cl)c1C(=O)NC(=O)NC1c2ccccc2-c2ccccc12 T13171
Cc1noc(C)c1[C@@H](O)c1cc2cc(CC(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3C)ccc2o1 T13172
Cc1noc(C)c1[C@H](O)c1cc2cc(CC(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3C)ccc2o1 T13172L
CC1=C(C(O)C2=CC3=CC(CC(=O)NC(C4=CC=CC=C4)C4=CC=C(C)C=C4C)=CC=C3O2)C(C)=NO1 T13172L1
CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC T13173
ClCC(=O)NCc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T13175
C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N T13176
CC(N)C(=O)Nc1c(C)cccc1C T13177L
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCCC1 T13178
CCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c2)cc1 T13179
CC1=C(SC2=NC(C)(C)CN12)C(=O)NCCc1ccccc1 T13180
O=C(C1=CC(O)=C(O)C([N+]([O-])=O)=C1)C2=C([2H])C([2H])=C(C([2H])([2H])[2H])C([2H])=C2[2H] T13181
CCOC(=O)C1=Cc2ccc(cc2N=C(N)C1)C(F)(F)C(F)(F)F T13182
COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 T13183
CC(O)(CNC(=O)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O T13184
NS(OC[C@]12[C@](OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])O2)([H])[C@@]3([H])[C@@](OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])O3)([H])CO1)(=O)=O T13185
[H][C@@]12CC[C@@](O)(CCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T13187
Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1 T13188
FC(F)(F)Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1 T13189
CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12 T13190
CCCCCn1c2c3Cn4c(cc5c(COC(=O)[C@]5(O)CC)c4=O)-c3nc3cccc([nH]c1=O)c23 T13191
CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N T13192
CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 T13193
CCN1Cc2c(O[C@@H](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N T13194
[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCc3c([2H])c([2H])c([2H])c([2H])c3[2H])C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O T13195
[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCc3c([2H])c([2H])c([2H])c([2H])c3[2H])C(O)=O)[C@@]1([H])CCCC2)C(O)=O T13196
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]1(C)CCC\C2=C/C=C1\C[C@@H](O)C[C@H](O)C1=C T13197
CCC\C=C\C\C=C\C=C\C=N\NN=O T13199
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C T1320
FC(C(C=C1N2CCCN3C([2H])([2H])C([2H])([2H])N(C)C([2H])([2H])C3([2H])[2H])=CC=C1SC4=C2C=CC=C4)(F)F T13201
CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 T13202L
COc1ccc(CN2CCN(O)CC2)c(OC)c1OC T13203
O=C(NCC1=CC=C(OCCN(C([2H])([2H])[2H])C([2H])([2H])[2H])C=C1)C2=CC(OC)=C(OC)C(OC)=C2 T13204
CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 T13207
Cc1ncc(NC(=O)NC2c3ccccc3-c3ccccc23)c(n1)-c1ccccc1 T13208
CN(C)CCOCC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 T13209
Cl.CN(C)CCOCC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 T13209L
CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 T1321
CCOC(=O)C1=C(C)NC(C)=C(C1C)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O T13210
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(Cc1ccc(OC(C)=O)cc1)c1ccccc1 T13211
CCOC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(F)cc3)c2n1 T13213
Cl.CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(Oc2ccc(F)cc2)cc1 T13214
CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(Oc2ccc(F)cc2)cc1 T13214L
O\N=C\Nc1ccc(N2CCOCC2)c(Cl)c1 T13215
O=C1C2C3CC(C4C3Sc3[nH]c(=O)sc3C4c3ccccc3)C2C(=O)N1c1ccccc1 T13216
[H][C@@]12C[C@@]([H])([C@@]3([H])[C@@H](c4sc(=O)[nH]c4S[C@@]13[H])c1ccccc1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccccc1 T13217
FC(F)(F)CN1C(=O)Nc2ccc(Cl)cc2[C@]1(C1CC1)c1ccc(cc1)C#N T13219
C(c1nc2ccccc2[nH]1)c1ccccc1 T1322
FC(F)(F)CN1C(=O)Nc2ccc(Cl)cc2[C@@]1(C1CC1)c1ccc(cc1)C#N T13220
C[C@@H](NC(=O)c1cccc(c1)-c1cnc([nH]1)-c1cc2ccccc2cn1)c1ccc(F)cc1 T13221
COc1ccc(cc1)C(=O)N1c2ccccc2Sc2ccc(Cl)cc12 T13224
COc1ccc(cc1O)C(=O)N1c2ccccc2Oc2cc(ccc12)C#N T13225
COc1ccc(cc1)C(=O)N1c2ccccc2Oc2cc(ccc12)C#N T13226
CCOc1ccc(cc1)-c1cn(C)nc1-c1cc(OC)c(OC)c(OC)c1 T13227
CC(C)C\C=C\C(=O)N[C@@H]1C(O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2NC(C)=O)O[C@@H](CC(O)[C@H]2O[C@H](C(O)[C@H]2O)n2ccc(=O)[nH]c2=O)C(O)[C@H]1O T13229
CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 T1323
CC(C)C(N1C(=O)c2ccncc2C1=O)C(O)=O T13230
[H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F T13231
CNc1cc(Nc2cc(C)cc(C)c2)nn2c(cnc12)C(N)=O T13232
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F T13234
[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O T13235
COC1=C(CNCC[C@@](C2)(C3=NC=CC=C3)CCOC42CCCC4)SC=C1.[H]Cl T13236L
COc1ccsc1CNCCC1(CCOC2(CCCC2)C1)c1ccccn1 T13236L2
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N T13237
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N T13237L
OC1=CC=C(C2=NC3=CC(C)=C(C)C=C3N=C2)C=C1O T13238
O=C(O)/C=C/C(O)=O.O=C1N(CCC2CCN(CC3=CC=CC=C3)CC2)CC4=NC5=CC=CC=C5C(OC)=C41.[0.5] T13239
N[C@@H](COP(O)(O)=O)C(O)=O T1324
CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 T13240
ClC1=NC=C(C2=CCC[C@@]3([H])N[C@]2([H])CC3)C=C1.O=C(O)/C=C/C(O)=O T13241
Cc1cc(OCc2ccccc2Br)c(C)c2[C@@H]3OC(=O)C(=C)[C@@H]3CCc12 T13242
FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(-c2cccnc2)c2cccnc12 T13244
Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 T13245
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1 T13246
CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1 T13247
CS(=O)(=O)N(CCO)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 T13248
CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 T1325
CCOC(=O)C1=C(COCCNCC(N)=O)NC(C)=C(C1c1ccccc1Cl)C(=O)OC T13250
C#CCN[C@H]1CCC2=CC=CC=C21 T13252
CS(O)(=O)=O.C#CCN[C@H]1CCc2ccccc12 T13252L
CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(nc2n1)-c1ccccc1 T13254
[Na+].[O-]C(=O)C1CC1C(=O)c1ccc(Cl)c(Cl)c1 T13258
OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 T13258L
CNc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 T13261
CC(C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O T13263
O[C@@H]([C@H]([C@H](N1C(NC(C=C1)=O)=O)O2)O)[C@H]2COP(O)(OP(O)(O)=O)=O.[Na+].[x] T13264
Oc1ccc2c(c1)oc(=O)c1ccccc21 T13265
[H][C@]12CC[N+]3([O-])CC=C(COC(=O)[C@@](O)(CO)[C@H](C)C\C(=C/C)C(=O)O1)[C@]23[H] T13266
COc1ccc(nc1C#N)-c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N T13267
OC1(Cn2cnc3cc(Cl)ccc3c2=O)CCN(CC1)C(=O)CCc1ccccc1 T13268
Cl.CNCCC=C1c2ccccc2CCc2ccccc12 T1327
C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F T13272
C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F T13273
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1N=C(S[C@H]1C(O)=O)C(C)(C)C T13274
Cl.[H][C@@]12CCC[C@]1([H])c1cccc3CNCCN(C2)c13 T13275
FC(F)(F)c1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1 T13276
[H][C@@]1(CC[C@@H](CC1)N(C)C)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O T13279L
Cl.OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1 T1328
CCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T13280
[H][C@]1(O[C@H](CO)[C@@H](OC(=O)[C@@H](N)C(C)C)[C@@]1(C)O)n1ccc(N)nc1=O T13281
CC(C)[C@@H](C(O)=O)N(C(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)CC(C=C1)=CC=C1C2=CC=CC=C2C3=NN=NN3 T13282
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(=O)OCC T13283
CCOc1noc2cc(OCCC3CCN(CC3)c3ccc(C)nn3)ccc12 T13284L
Cl.[H][C@@]12C[C@@]3(CNC(=O)N3CCNS(C)(=O)=O)CCN1CCc1c2oc2ccccc12 T13285
CCCCCC1=C(NCc2ccccc2)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O T13289
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]1(C)CCC\C2=C/C(/[2H])=C1/C[C@@H](O)CCC1=C([2H])[2H] T13290
[H][C@@]12CC[C@H]([C@H](C)CCCC(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T13291
CCCC(N(NC(=O)c1cccc(OC)c1CC)C(=O)c1cc(C)cc(C)c1)C(C)(C)C T13293
CCC[C@@H](N(NC(=O)c1cccc(OC)c1CC)C(=O)c1cc(C)cc(C)c1)C(C)(C)C T13293L
CCC[C@H](N(NC(=O)c1cccc(OC)c1CC)C(=O)c1cc(C)cc(C)c1)C(C)(C)C T13294
OC(=O)[C@H](C1CCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1 T13295
[Br-].C[N+]1(CCN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2)CCOCC1 T13297
Cl.COc1ccc(cc1)N(C)c1nc(C)nc2ccccc12 T13298
COc1cc(C)c(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)c(C)c1C T1330
[2H]C1([2H])N(CCCCc2c[nH]c3ccc(cc23)C#N)C([2H])([2H])C([2H])([2H])N(c2ccc3oc(cc3c2)C(N)=O)C1([2H])[2H] T13300
Cl.COc1ccc2nccc(C(=O)CC[C@@H]3CCNC[C@@H]3C=C)c2c1 T13302
COc1ccc2nccc(C(=O)CCC3CCNCC3C=C)c2c1 T13302L
Oc1cccc(c1)-c1c(O)c(=O)[nH]c2ccccc12 T13305
[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(c2ccccc2Sc2ccc(C)cc2C)C1([2H])[2H] T13308
[Na+].Cc1cc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)COP(O)([O-])=O)c2cc1C T1331
C(CN1CCOCC1)\N=c1\nc(-c2ccccc2)n(s1)-c1ccccc1 T13310
CC(C)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1CCOC[C@H]1C)C(F)(F)F T13311
CC(C)[C@](O)(c1c[nH]nn1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1 T13312
CC(C)[C@@](O)(c1c[nH]nn1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1 T13312L
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1 T13313
FC1=C(N=C(N2C[C@@](NCC2)([H])[C@](C)(O)C(C)C)C(Cl)=C1)C3=NNC4=NC=CC=C34 T13314
Cc1cc(ccc1Cl)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 T13315
Cl.CC(C)c1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(Br)c1 T13316
Cl.Clc1cccc(NC(=O)c2ccccn2)c1 T13317
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccnc1F T13318
C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 T13319
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1 T1332
Cl.[O-][N+](=O)c1ccc2nc(COCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1 T13320
[O-][N+](=O)c1ccc2nc(COCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1 T13320L
COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F T13321
COc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C T13322
COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)OC(F)(F)F)N3C=NC=N3)OCC4CC4 T13323
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1 T13325
CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O T13326
CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1 T13327
COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F T13329
Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1 T1333
N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O T13330L
COc1ccc(cc1OC1CCCC1)C1CC(=O)N(N1C)C(=O)NCc1cccnc1 T13331
Clc1cc2NC(=O)C3CNCCN3c2cc1Cl T13332
O=C1NCCc2c([nH]c3cccc1c23)-c1ccccc1 T13333
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)CNC(=O)c1ncccc1C T13335
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 T1334
Cc1nc2[nH]c(=O)[nH]c2cc1-c1ccncc1 T13340
Cc1nn(C2CCCC2)c2[nH]c(nc(=O)c12)-c1ccncc1 T13341
Cc1nc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 T13342
OCCCC\C=C/CCCCCCC\C=C/CCCCC(O)=O T13343
CCN1Cc2cc(OCc3cc(C)nn3C)c(O)cc2-c2cccc(C)c12 T13344
O=C(CCC(=O)c1ccccn1)c1ccc2OCCOc2c1 T13345
CC(C)NC1CN(C1)c1c(F)cc2c(c1C)n(cc(C(O)=O)c2=O)-c1nc(N)c(F)cc1F T13346
CNC1CN(C1)c1c(F)cc2c(c1Br)n(cc(C(O)=O)c2=O)-c1nc(N)c(F)cc1F T13347
CN(C)CCn1nnnc1Sc1cc(C)nc2nc(SCc3ccc(Cl)cc3)nn12 T13348
Cl.CN(C)CCn1nnnc1Sc1cc(C)nc2nc(SCc3ccc(Cl)cc3)nn12 T13349
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O T1335
COc1ccc(cc1)-c1oc2c(CCC(C)(C)O)c(O)cc(O)c2c(=O)c1O T13350
Cn1c2ncn(CCCN3CCC(CC3)OC(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O T13352
OC(=O)C(O)=O.CCCCCCOc1nsnc1C1=CCCN(C)C1 T13353
CC(C)=CCC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O T13354
C[C@H](CCC=C(C)C)c1ccc(C)c(O)c1 T13355
Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(Cc2ccc(F)cc2)C1=O T13356
CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C T13359
CS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 T1336
FC(C=C1)=CC=C1COC2=C(OCC3=CC=C(F)C=C3)C=C(CNCCO)C=C2.Cl T13360
CC1=NOC(C1=C2)=CC=C2C3=NC(C=C4)=C(N3CC5CCCCC5)C=C4N6CCOC[C@@H]6C T13363
CCN(CC)CC(=O)OC1CCN(CC1)c1ccc(\C=C(/C#N)c2ccc(OC)c(OC)c2)s1 T13365
OC(=O)c1cccc(CN2C(=O)\C(=C(/c3ccccc3)c3ccc(Cl)cc3)c3ccccc23)c1 T13368
[Na+].[Na+].NCCC(O)(P(O)([O-])=O)P(O)([O-])=O T1337
Cl.O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 T13370
F\C(COc1ccc2c(c1)[nH]c1ccccc21)=C1\CN2CCC1CC2 T13371
Cl.CNc1ccc(CN2CCC(CC2)OC(=O)NC(c2ccccc2)c2ccccc2)cc1 T13372
COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]1CCCN(CCNC(=O)c2ccc(F)cc2)C1 T13374
Br.Oc1cc2CCNC(Cc3cccc4ccccc34)c2cc1O T13376
OC1=CC2=C(C(CC3=C4C=CC=CC4=CC=C3)NCC2)C=C1O.O.Br T13376L
OC1C2=CC=CC=C2/C(C3=CC=CC=C3C1)=C\CCNC.[(Z)] T13377
OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)c1c(Cl)cccc1Cl T13378
C(\C=1OC(=CC1)C2=CC=C(C(O)=O)C=C2)=C\3/C(=O)N(CC4=CC=CC=C4)C(=S)S3 T13379
FC(C=C1)=CC=C1C2=C(/C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)C(C3CC3)=NC4=C2C=CC=C4.[1/2].[Ca+2] T13380
CCOC(=O)c1ccc(NC(=O)NCc2ccc(cc2)-n2cccn2)cc1 T13381
Cc1ncc([nH]1)-c1csc(NC(N)=N)n1 T13382
Fc1cc(F)c2OC[C@@H](Cc2c1)n1c(CCNCc2ccccc2)c[nH]c1=S T13383
C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 T13384
Cl.Cl.C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 T13384L
COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC T13387
Cl.COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC T13387L
COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F T13389
Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 T1339
O=C1CCC2=C(C=C(CC)N=C2CC)N1CC(C=C3)=CC=C3C4=CC=CC=C4C5=NN=NN5.[H]Cl T13390
C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 T13391
Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(cc2)C2CO2)c1 T13392
Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1 T13393
Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1 T13394
[Na]OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O T13395
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O T13395L
O=C1c2ccccc2C(=O)C11SC[C@H]2N1C(=O)[C@H]1CSC3(N1C2=O)C(=O)c1ccccc1C3=O T13397
CC1=NN(C(=O)\C1=N/Nc1ccc(cc1)N1CCOCC1)c1ccccc1 T13398
CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 T13399
CCOC(=O)N1CCC(=O)CC1 T1340
[2H]C1([2H])N(CCc2cc3CC(=O)Nc3cc2Cl)C([2H])([2H])C([2H])([2H])N(c2nsc3ccccc23)C1([2H])[2H] T13400
Cc1ccc2nc(nc(NCC3(N)COC3)c2c1)N1CCS(=O)(=O)c2ccccc2C1 T13401
CN(C)C(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3cn(C)nc3c2)ccn1 T13402
Cl.COC(=O)c1cc2c(ccc(O)c2[nH]1)C(O)CNC(C)(C)C T13403
O.OP(O)(=O)Cn1c2cc(N3CCOCC3)c(cc2[nH]c(=O)c1=O)C(F)(F)F T13405
OP(O)(=O)Cn1c2cc(N3CCOCC3)c(cc2[nH]c(=O)c1=O)C(F)(F)F T13405L
CO\N=C1/CN(CC11CNC1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T13406
Cl.CO\N=C1\CN(CC11CNC1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T13406L
Cl.Cl.OCCOCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 T13407
CC[C@@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O T13408
CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O T13409
CC1=CC(OC2=C(F)C=C(F)C(O[C@H](CC)C(O)=O)=N2)=CC(C3=CC=CC(CN)=C3)=C1.Cl T13409L
OC1C[C@@H]2CC[C@H](C1)N2 T1341
Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1CCOc1ccc(C)cc1C T13410
Cc1ccc(OCCSc2ncccn2)c(Br)c1 T13411
CC1=CC=C(OCCSC2=NC=CC=N2)C(Br)=C1.[H]Cl T13411L
O.Cl.NC(=N)NC(=O)c1cnn(c1C1CC1)-c1cccc2ncccc12 T13413
Cl.FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1 T13414
COc1cc(cc(OC)c1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=O)OCCCCNC(N)=N T13417
FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2CN(Cc3ncc[nH]3)CCc2c1 T13418
CC(N)c1ccc(cc1-c1ccc(F)cc1)C(=O)Nc1ccncc1 T13419
OC1CC(N2)CCC2C1 T1341L
ClCCC(=O)c1ccccc1 T1342
N=S(CC1=CC(NC2=NC=C(F)C(C3=CC=C(F)C=C3OC)=C2)=NC=C1)(C)=O.[Rotation(-)] T13420
N=S(CC1=CC(NC2=NC=C(F)C(C3=CC=C(F)C=C3OC)=C2)=NC=C1)(C)=O.[Rotation(+)] T13420L
C[C@@H](SC1)O[C@@]21CN3CCC2CC3.Cl.[0.5H2O] T13421
CCC(CC)C(C1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1)N4N=CN=C4.[(-)].[Rotation] T13422
CCC(CC)[C@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 T13422L
O=C([C@H]1[C@@H](C(NC2=CC(Cl)=CC(Cl)=C2)=O)CCCC1)O T13424
C[C@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N T13426
C[C@H]1CCN(C[C@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N T13426L
C[C@@H]1CCN(C[C@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N T13427
NC1=NC(CF)=[C@]([C@]2=CC=CC(Cl)=C2Cl)C(N)=N1.[R] T13428
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)[C@H](N)CC(O)=O)[C@H](C)CCC(O)=O T13429
CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C T1343
CCCCC\C=C/C\C=C/CCCCCCC(O)C(O)=O T13430
CC(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C T13431
[2H]C([2H])([2H])C(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C T13432
CCCCCCCC(=O)\C=C\c1ccc(O)c(OC)c1 T13436
Cl.[H][C@]12CCCc3cccc(C(=O)N(C1)[C@H]1CN4CCC1CC4)c23 T13437
CCCC(OC(CNC(C)(C)C)COC1=NSN=C1N2CCOCC2)=O T13439
[Cl-].CN(C)c1ccc(cc1)C(\c1ccc(cc1)N(C)C)=C1\C=C/C(/C=C\1)=[N+](/C)C T1343L
Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 T1344
NC(CSCC(O)=O)C(O)=O T13440
Fc1ccc(cc1)C(=O)N1CCC[C@H](C1)c1nc(no1)-c1ccc(F)cc1 T13441
CNC(=O)N1N=C(c2ccc(cc2)N2CCN(C)CC2)c2cc(OC)c(OC)cc2C[C@H]1C T13442
Oc1ccc(cc1)[C@@H]1COc2cc(O)ccc2C1 T13443
O[C@H]([C@@H](O)C(O)=O)C(O)=O.[2H]C([2H])([2H])N([C@H](C)c1cccc(OC(=O)N(C)CC)c1)C([2H])([2H])[2H] T13446
NC(=O)c1c2NCC[C@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 T13447
COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1 T13448
C[C@H](CCC=C(C)C)CC=O T13449
CSC(SC)=C[N+]([O-])=O T1345
OC1=C(Sc2ccccc2Cl)C(=O)N[C@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 T13450
Clc1ccccc1SC1C(=O)CC(NC1=O)(c1ccsc1)c1ccc(cc1)N1CCOCC1 T13450L
Cc1ccc2c(NC[C@@](O)(CC(C)(C)c3cc(F)cc4CCOc34)C(F)(F)F)cccc2n1 T13451
Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4CCOc34)C(F)(F)F)cccc2n1 T13451L
C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O T13452
O=C(CN1C(=O)C2(CCOCC2)c2ccccc12)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 T13453
O=C(O)C1=CC=C(NC2=C3N=CN(C(C)C)C3=NC(N[C@H](CO)C(C)C)=N2)C=C1Cl T13454
Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@@H](CO)OC1=O T13455
N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O T13456
C\C=C/n1cnc2c(N)ncnc12 T13457
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1 T13458
OC1=C2C=C(O)C(O)=C(C(C)C)C2=CC(C)=[C@]1[C@]3=C(C)C=C4C(C(C)C)=C(O)C(O)=CC4=C3O.[S] T13459
OCC(O)c1ccccc1 T1346
C[C@H](SC1)O[C@]21CN3CCC2CC3.Cl.[0.5H2O] T13460
OC(CCC/C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)COC2=CC(Cl)=CC=C2)=O T13461
[H][C@]12O[C@@]1([H])C(=O)C=C(NC(=O)c1ccccc1O)[C@H]2O T13462
Cl.[H][C@@]12CCc3cc(O)c(O)cc3[C@@]1([H])c1ccccc1CN2 T13463
[H][C@@]12CCc3cc(O)c(O)cc3[C@@]1([H])c1ccccc1CN2 T13463L
OC1=C(O)C=C(CC[C@]2([H])[C@]3([H])C4=C(C=CC=C4)CN2)C3=C1.Cl.[relative T13463L2
CC(C)(C)NC[C@@H](O)COc1ccccc1C1CCCC1 T13465
CCC(CC)C(C1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1)N4N=CN=C4.[(+)].[Rotation] T13466
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=N)=O)ccn2)ncc1F T13467
Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 T13468
C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 T13469
Nc1nc2ccccc2s1 T1347
[2H]C([2H])([2H])N(CC(C)CN1c2ccccc2Sc2ccc(OC)cc12)C([2H])([2H])[2H] T13470
COc1cc(nc(-c2csc(CCCCCC(C)O)n2)c1OC)C(O)=O T13471
NCCC#N T13475
CC([C@H]1[C@@](C)(CC[C@@H](C(C)=C)C1)C=C)=C T13476
CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 T13477
[H][C@]12CN(C[C@@H](O)[C@@]1([H])OC(C)(C)O2)C(=O)OC(C)(C)C T13478
OC[C@@H](O)[C@H](O)[C@H](O)C(=O)C=O T13479
OP(=O)(Oc1ccccc1)Oc1ccccc1 T1348
N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O T13480
Cl.N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O T13480L
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(OC)c(O)cc3CC[C@@]21[H] T13481
OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N=CN=C32)N)O1)OC)O T13482
CCCCCCCCCCCCCCCCCCc1cc2cc(ccc2[nH]1)C(O)=O T13483
CCCC(=O)C(O)=O T13484
NC(C(O)=O)c1ccccc1 T13485
O=C(NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1)C1CCC(=O)N1Cc1ccccc1 T13486
Cn1cnc(CCN)c1 T13487
CCCCCCC\C=C\C(=O)NCCSCCC1CCCCC1 T13488
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T13489
[C@H]1(n2c(=O)[nH]c(=O)c(c2)F)[C@@H]([C@@H]([C@H](O1)CO)O)O T1349
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(O)CO)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T13490
CCC(CC)n1c2c(-c3nn[nH]n3)c(Cl)cnc2[nH]c1=O T13491
[H][C@]12O[C@@H]3[C@@H](C[C@@](C)([C@]33CO3)[C@@]1(CO)[C@H](O)C(=O)C(C)=C2)OC(C)=O T13493
NC1CCCNC1=O T13495
O=C(OCc1ccoc1)c1ccc[nH]1 T13496
CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCC(O)C2)ccc1C(O)=O T13497
CC(C)=CC(=O)NCC(O)=O T13498
Cn1c(=O)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O T13499
CCCCOc1ccc(O)cc1 T1350
[H][C@]1(CC(=O)O[C@H]1OC)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C T13501
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T13502
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)[C@H]2C T13503
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T13505
C[C@@]12-;@[C@](-;@C-;@C-;@[C@]-;@2([H])[C@H](C)CCC(O)=O)([H])-;@[C@@]3([H])-;@[C@](-;@[C@@]4(-;@[C@](-;@C-;@[C@@H](O)-;@C-;@C-;@4)([H])-;@C-;@[C@@H]-;@3O)C)([H])-;@C-;@C-;@1 T13506
Oc1ccc(Nc2ccc(O)cc2)cc1 T13507
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OC)[C@@]1(C)CCC(=O)N2 T13508
Oc1ccc(C=C)cc1 T13509
C(C(=O)NCCCC[C@@H](C(=O)O)N)(F)(F)F T1351
Cc1c(oc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1=O)-c1ccccc1 T13510
Nc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O T13511
Cl.NCCc1cc(O)c(O)c(O)c1 T13512
COc1ccc2[nH]cc(CC(O)=O)c2c1 T13513
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2O[C@@H](CC(=O)c12)c1ccccc1 T13514
COc1ccc2[nH]cc(CCO)c2c1 T13515
CN(C(CNc(cc1)ccc1C(N[C@@H](CCC(O)=O)C(O)=O)=O)CN1)C2=C1NC(N)=NC2=O T13516
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C T13517
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C T13518
Nc1cc2c3ccccc3ccc2c2ccccc12 T13519
COc1cc2c(CCNC(C)=O)c[nH]c2cc1O T13520
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O T13521
C[C@H](CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O T13522
[Br-].C[N@+]1(CCF)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 T13523
[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C T13525
CCCSc1ccc2nc(N)[nH]c2c1 T13526
Cc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(OCC(O)=O)c1 T13527
[Na+].CC(=O)CC([O-])=O T13528
CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OCCN)OC(C)=O T13529
CC1(O)CCOC(=O)C1 T1353
CC(C)C[C@@H](C(O)=O)NCC1=C(O2)C(C(C)=CC2=O)=CC=C1O T13530
[H][C@]12OC=C[C@@]1([H])c1c(O2)cc(OC)c2c3CC[C@H](O)c3c(=O)oc12 T13531
[H][C@@]12OCC[C@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 T13532
[H][C@]12OCC[C@@]1([H])c1c(O2)cc(OC)c2c3CCOC(=O)c3c(=O)oc12 T13533
COc1cc2OC3OC=CC3(O)c2c2oc(=O)c3C(=O)CCc3c12 T13534
COc1cc2OC3OCCC3(O)c2c2oc(=O)c3C(=O)CCc3c12 T13535
[H][C@@]12C[C@@]3([H])\C(CN1CC[C@@]1(C2=Nc2ccccc12)[C@]3(COC(C)=O)C(=O)OC)=C/C T13537
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c1[nH]cnc2=O T13539
CC(=O)NCCc1c[nH]c2ccc(O)cc12 T1354
C[C@H]1CCC[C@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 T13542
COc1cc(O)c2C(=O)O[C@]3(C)C[C@@H](O)[C@H](O)C=C3c2c1 T13543
O[C@H]1CC(=O)c2c(O)ccc3-c4ccc(O)c5C(=O)CC[C@@](O)([C@H]1c23)c45 T13544
O[Al](O)O T13545
Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccccc1Br T13546
CC1(C)OB(O)c2cc(NC(=O)c3ccc(cc3Cl)-n3cccn3)ccc12 T13548
COC(=O)c1cc(O)cc(O)c1 T1355
COc1cc(ccn1)-c1ccc([C@@H]2CCc3ccc(cc3O2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1 T13550
CCCCC\C=C/[C@@H](O)C#CC#C[C@@H](O)C=C T13551
O[C@@H](CO\N=C(/Cl)c1cccn(=O)c1)CN1CCCCC1 T13553
OC(=O)\C=C/C(O)=O.O[C@@H](CO\N=C(/Cl)c1ccc[n+]([O-])c1)CN1CCCCC1 T13554
C[C@H](CCC(C)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O T13555
C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O T13556
C[C@@H]1O[C@@H](OCCC(O)=O)[C@H](O)C[C@H]1O T13557
C[C@H](CC\C=C\C(=O)Nc1ccc(cc1)C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O T13558
Cl.COc1cc(CN)ccc1O T1356
CCOC(=O)c1ccc2Oc3c(CNc2c1)cccc3OC T13563
C=CC(NC1=CC(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)=C(OC)C=C1N(C)CCNC)=O T13564
CS(O)(=O)=O.NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1 T13567
NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1 T13568
CCOC(=O)CNC(=O)CCCCSc1ncnc2nc[nH]c12 T13569
COc1ccc(CO)c(OC)c1OC T1357
CCCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCC2CCCO2)CC1 T13570
Cc1ccc(Nc2ncc(F)c(Nc3ccc(OCC#C)cc3)n2)cc1S(N)(=O)=O T13571
CC1(C)COC(=O)N1c1nc(cs1)-c1ccc(cc1)C#N T13572
CC(C)(C)C(=O)CN1CC2CN(CCCNc3ccc(cc3)C#N)CC(C1)O2 T13573
[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T13575
N[C@@H](CC#N)C(O)=O T13576
C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 T13577
COc1cccc(Cl)c1Cl T1358
OC(CO\N=C(/Cl)c1cccnc1)CN1CCCCC1 T13580
OC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O T13581
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CC)C(O)=O T13583
ClCC(=O)N(Cc1ccccc1)C1CCCN(CC1)C(=O)c1ccc(cc1)N1CCOCC1 T13586
CC(C)NC(=O)c1no[n+]([O-])c1C(=O)NC(C)C T13588
OC(=O)Cc1ccc2OCCc2c1 T1359
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](O)C3CC3)[C@@]1(C)CCC\C2=C/C=C1\C[C@H](O)C[C@H](O)C1=C T13590
Nc1cccc(CN2CCC(CC2)OC(=O)NC(c2ccccc2)c2ccccc2)c1 T13593
CN1c2ccc(Cl)cc2C(N(CC1=O)C(N)=O)c1ccccc1 T13596
O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 T13597
COc1ccc2C(=O)c3c(-c2c1O)c(O)c(OC)cc3CCN(C)C T13598
CC(OC(=O)CCC(O)=O)c1oc2ccc(cc2c1C)C1=CC(=O)OC1 T13599
Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O T1360
[O-][N+](=O)c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1 T13600
Nc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1 T13601
OCCn1ccc(=O)c(O)c1C(O)c1ccccc1 T13607
Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1 T13609
Nc1ncnc(Nc2ccc(Cl)cc2)n1 T13609L
FC(F)(F)c1ccc2sc3ccccc3c(=O)c2c1 T1361
[H][C@@]12CC[C@H]([C@H](C)CCC=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T13610
Cc1cc(C)cc(c1)C(=O)N(NC(=O)c1ccc2OCCCc2c1C)C(C)(C)C T13612
CC(CN(C)C)NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1 T13613
O=C1CCC(C2CCN(C\C=C\c3ccccc3)CC2)(C(=O)N1)c1ccccc1 T13615
CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(O)=O T13616
CC(C)(O)[C@H]1CC[C@@](C)(O)CC1 T13617
COc1cc(=O)oc(\C=C\C=C\C=C\C(\C)=C\[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)c1C T13618
Oc1ncnc2[nH]cnc12 T1362
CNC(=O)CCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(Cl)cc23)CC1 T13620
Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1 T13621
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1 T13621L
N.[Cl-].CCC(C)C.CCC(CC(C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1 T13622
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)CC\C=C(/C)C=O T13625
C[C@H]1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 T13628
C[C@@H]1NC(=O)CNC1=O T13629
COc1cc[nH]c(=O)c1C#N T1363
CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO T13632
CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C T13633
OC(=O)[C@H]1CCCCN1 T13634
CCCCCC1CC1CC1CC1CCCCCCCC(O)=O T13637
[H][C@]12C[C@@H](O)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@@H](O)CC[C@]21C)C(C)=O T13638
[O-]C(=O)c1ccc(cc1)N1N=C2c3ccccc3[O-][Fe+3]3[O-]c4ccccc4C1=[N]23 T13639
CC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O T1364
O=C(C(CC[C@]1(O)[C@]2([H])[C@@](C)(/C=C/C=C(C(O)=O)\C)O3)=CC[C@@]1(CC2)C3=O)O T13643
Oc1cc2oc3c(c2cc1O)c(=O)oc1cc(OS(O)(=O)=O)cc(O)c31 T13644
OC[C@H]1O[C@H](C[C@@H]1O)c1c[nH]c(=O)[nH]c1=O T13645
[H][C@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)CO T13646
NC(=S)c1ccncc1 T1365
CC(=O)N(C(C)=O)c1ccc(cc1C)\N=N\c1ccccc1C T13651
CN1CCC2Nc3ccc(C)cc3C2C1 T13652
NC(Cc1cccc(O)c1)C(O)=O T13654
Cl.NCC(O)c1ccc(O)c(O)c1 T13655
N[C@@H]([C@H](O)C)C(O)=O T13656
Cl.OC(=O)Cc1cccnc1 T1366
CCCCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2OCCO2)CC1 T13660
CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O T13661
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCN1CCN(CCCN)CC1 T13663
Cl.CCN(CCCl)Cc1ccccc1Br T13664
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC(SCCC(=O)ON3C(=O)CCC3=O)[C@@]21[H] T13668
O=C(N)/C=C/C1=CC=CC=C1 T13669
O=C1O/C(C2=C1C=CCC2)=C/CCC.[(E)] T13670
CCC/C=C\1/C2=C(C=CCC2)C(=O)O1 T13670L
Cl.C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)C(C)(C)C)c1ccc(cc1)-c1scnc1C T13671
CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1 T13674
CCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O T13676
Cc1nc(OCCCCCN2CCCCC2)cc(n1)-c1ccc(F)cc1 T13677
COC(=O)c1cc(O)c(O)cc1 T1368
[H][C@]12C[C@H](O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 T13681
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C T13682
COCc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](\C=C(\C)C#N)C2(C)C)c(F)c1F T13683
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])C2=CCc2cc(O)ccc12 T13684
[H][C@]12C[C@@H](C)[C@]3([H])CCC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@]1([H])C(=C)C(=O)O2 T13686
CS(=O)(=O)OCCOS(C)(=O)=O T13689
Cn1nc(C(O)=O)c2ccccc12 T1369
Cl.CCNC1=Nc2ccc(Cl)cc2C(C)(O1)c1ccccc1 T13690
CCNC1=Nc2ccc(Cl)cc2C(C)(O1)c1ccccc1 T13691
CC1=C2[O-][Fe+3]34([O-]C5=C(C)OC=CC5=[O]3)([O-]C3=C(C)OC=CC3=[O]4)[O]=C2C=CO1 T13692
CNC(=O)CNC(=O)CN T13693
NCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc12 T13695
O=C1N(C)/C(C=C(C2=CC=C(OC)C(OC)=C2)N1CC)=N/C3=C(C)C=C(C)C=C3C.[E] T13697
C\C=C\SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O T13698
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]([H])(C(C)(O)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)CC\C=C(/C)C=O T13699
Nc1ccc(F)cc1O T1370
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 T13700
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1occ(-c1ccc(O)cc1)c2=O T13701
COc1cc(CC=C)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O T13702
[H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T13703
C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 T13705
OC[C@H]1O[C@@H](S\C(Cc2ccc(O)cc2)=N\CS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O T13706
Cl.CC(C)C[C@@H](N(C)C(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O T13707
OCCOC(=O)c1ccccc1O T13709
OC(=O)c1nc[nH]n1 T1371
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc2CCCc2c1 T13711
CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 T13712
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3ccccc3)[C@@H](O)[C@H]2O)c1N T13713
Fc1ccc(cc1C(=O)NCc1cc[nH]n1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 T13714
FC1=C(C(NCC2=NNC=C2)=O)C=C([C@H]3[C@H](COC4=CC=C(OCO5)C5=C4)CNCC3)C=C1.[H]Cl T13714L
Cl.CCN(C(=O)c1ccccc1OC)c1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C T13715
CCN(C(=O)c1ccccc1OC)c1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C T13715L
OC1=C(OC)C=C2C[C@@H](C)[C@H](C)[C@@H](C3=CC=C(O)C(OC)=C3)C2=C1.[Relative T13716
Cl.COC(=O)[C@@H](N)CCCNC(=N)NS(=O)(=O)c1c(C)c2CC(C)(C)Oc2c(C)c1C T13718
CCCCCCCCCCCCCCCC=O T13719
COc1ccccc1CN T1372
BrCCCBr.CN(C)CCCCCCN(C)C T13720
Oc1ccc2c(c[nH]c2c1)C(=O)c1ncc([nH]1)C(=O)c1c[nH]c2ccccc12 T13723
[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CC[C@@H]2C(C)(C)O T13724
[H][C@]12O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]33CO3)[C@@]1(COC(C)=O)C[C@H](OC(=O)CC(C)C)C(C)=C2 T13726
[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T13728
CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N T13729
CC(=O)NCCC(O)=O T1373
C\C=C/C=C/C=C\CC\C=C\C(=O)NCC(C)(C)O T13732
OC(=O)CNC(=O)Cc1ccc(O)cc1 T13733
OC(=O)Cc1c[nH]cn1 T13735
CCCC[C@H](CO)Nc1nc(NC)ncc1OC T13736
CC(C)[C@H]1CC[C@@H](C)CC1=O T13738
CC(C)=CC(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 T13739
NNC(=O)c1ccccn1 T1374
Cc1coc2c1C(=O)c1ccc3c(CCCC3(C)C)c1C2=O T13740
O.CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C T13742L
CN(C)c1ccc-2c(Cc3cc(Br)ccc-23)c1 T13744
COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c(C)c1C T13745
COc1ccc2c(Cc3ccccc3F)c3-c4cc5OCOc5cc4CCn3c(=O)c2c1OC T13747
[Na+].[Na+].O[C@@H](CCC([O-])=O)C([O-])=O T13748
O[C@@H](CCC(O)=O)C(O)=O T13749
C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO T13750
C[C@@H](OC(=O)c1ccccc1OC(C)=O)[C@H](N)C(O)=O T13751
O=C[C@@H]([C@H]([C@H](CO)O)O)O T13752
COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc(O)c(OC)c1 T13753
OC(C=C1O)=CC=C1C(CO2)CC3=C2C=C4C(CCC(C)(C)O4)=C3OC T13754
CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(=O)NCCS(O)(=O)=O T13758
[NH3+]CC(CCCC1=CC=CC=C1)(C(NCC[NH3+])=O)CCCC2=CC=CC=C2.[Cl-].[Cl-] T13759
Cc1cc(C#N)c(N)s1 T1376
Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(OS(O)(=O)=O)cc2o1 T13762
CC(=O)NCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 T13763
[H][C@]12C[C@@H](C)C[C@]34N(CCC[C@]3([H])C(=O)C1)CCC[C@]24[H] T13764
FC1=CC=C2C(CCO2)=C1CNC3=NC=C(C4=C(C)N=C(CCC(O)=O)C=C4)C5=NN=CN35 T13765
Fc1ccc(cc1)-c1nnc(NC(=O)N2CCc3ccccc3C2)o1 T13767
[H][C@]12COc3cc(O)ccc3[C@@]1([H])Oc1cc(OC)ccc21 T13768
Nc1nc(N)nc(Nc2ccc(cc2)[As]2SC(C(S2)C(O)=O)C(O)=O)n1 T13770
[Cl-].CN(C)C(=O)Oc1ccc[n+](C)c1\C=N\NC(=O)Nc1ccccc1 T13772
FC(F)(F)Oc1ccc(cc1)C(=O)NCCC(=O)N[C@@H]1CCCc2ccccc12 T13774
[Na+].[O-]c1cc(=O)c1=O T13777
CC(C)COC(=O)c1ccccc1C(O)=O T13778
COc1ccc2nc(ccc2c1N)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1 T13779
Fc1cn(C2CCCO2)c(=O)[nH]c1=O T1378
CN(C)c1cc(C)nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1 T13783
CC(C(O)=O)c1ccc(cc1)-c1sccc1C T13784
NC(=N)NCCCCCCC(=O)NCC(O)CC(=O)NCCC(O)=O T13787
CCCC(=O)NC1CCOC1=O T13788
CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O T13789
c12c([nH]cc1C[C@@H](C(=O)O)N)ccc(c2)O T1379
Cl.CN(C)CCC(Oc1cccc2ccccc12)c1cccs1 T13790
CNc1nc(=O)c2[nH]cnc2[nH]1 T13791
C[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1O T13793
NCCCCCC(O)(P(O)(O)=O)P(O)(O)=O T13794
NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T13795
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)CC\C=C(\C)C(O)=O T13796
[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)C(C)([C@H](O)[C@H]1O)C21CO1 T13797
Cc1coc-2c1C(=O)C(=O)c1c3CCCC(=O)c3ccc-21 T13798
Fc1cc2C(=O)c3nc(C#N)c(nc3-c2cc1F)C#N T13799
ClCC1C(CCl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl T1380
O=C(N1CC2COCC2C1)c1ccccc1 T13801
CCCCCCCC\C=C/CCCCCCCC(N)=O T13802
CCCCCCCC\C=C/CCCCCCCC(=O)NCC(O)=O T13803
CCC(=O)Nc1c(C)cc(cc1C)C(=O)N1CCC(CC1)N(C)CCc1ccccc1 T13804
O=C1C[C@@H](C)C(C2=CC=C(N)C=C2)=NN1 T13806
COc1cc(\C=C2\C(C)=C(CC(=O)NCc3ccccc3)c3cc(F)ccc23)cc(OC)c1OC T13807
CCOC(=O)\C=C\c1ccc(O)cc1 T13808
[O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(I)c1 T13809
[Cl-].CCCCCCCCCCCCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C T13810
CCC(Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O T13814
CO\C(=C/C(O)=O)C(=O)C(C)=C T13815
CC(C)(O)[C@H](O)Cc1cc2ccc(=O)oc2cc1O T13816
Cl.Cn1cncc1CC(O)=O T13819
COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl T1382
Cn1cncc1CC(O)=O T13820
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)NCCO)n2)c1C T13821
[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)C[C@H](O)[C@H](O)C[C@@]1([H])C(=O)C3)[C@@](C)(O)[C@H](O)CCC(C)(C)O T13822
C=CN1CCCC1=O T13823
Cn1c2nc(Nc3ccc(OCCN)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O T13824
[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T13825
Cl.CC(C)N1CCC(CC1)(c1ccccc1)c1ccccc1 T13826
CC(COc1ccccc1)NC(C)C(O)c1ccc(OC(=O)C(C)(C)C)cc1 T13828
CC(C)c1oc(nc1CCC(=O)c1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Cl)cc1Cl T13829
S=C=Nc1ccc(cc1)N=C=S T1383
Cl.CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC T13830
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O T13831
OC1=CC=C(C2=NC=NC(NC3=CC=C(OC(F)(F)F)C=C3)=C2)C=C1 T13832
Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 T1384
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)c(c3)[N+]([O-])=O)c12)C1CCNCC1 T13841
Nc1nnc(cc1N1CCNCC1)-c1ccccc1O T13848
CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC T1385
[H][C@@]12CC[C@]3(CC=C(CC[C@]13OC(C)=O)C(O)=O)C(=O)O[C@]2(C)\C=C\C=C(/C)C(O)=O T13851
Oc1c2ccc(Cl)cc2nc2c1c(=O)[nH][nH]c2=O T13853
COc1ccc2nccc(C(O)=O)c2c1 T13854
[NaH].O=C(Nc1nnn[nH]1)c1cc(Oc2ccccc2)c2ccccn2c1=O T13855
CCN(CC)c1ccc(cc1[N+]([O-])=O)C1=NNC(=O)C[C@H]1C T13856
C1NC(CC=C1)c1cccnc1 T13857
CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@@]2([H])C3=CC=CC(CCCC(O[Na])=O)=C3O[C@@]2([H])C[C@H]1O.[Relative T13859
Cl.Nc1ccc(\N=N\c2ccccc2)c(N)n1 T1386
OC(=O)c1ccc(\C=C\S(=O)(=O)Cc2ccc(Cl)cc2)cc1 T13862
[Na+].[O-]C(=O)c1ccc(\C=C\S(=O)(=O)Cc2ccc(Cl)cc2)cc1 T13862L
COc1cc(ccc1O)C(O)C(C)Oc1c(OC)cc(CC=C)cc1OC T13863
CC\C=C/C[C@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@@H](O)C\C=C/CCC(O)=O T13864
Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cccc4cccc2c34)c1 T13865
C\C(=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C T13866
[O-][N+](=O)c1cc(ccc1Sc1nc(C2CCCCC2)c(C#N)c(=O)[nH]1)C(F)(F)F T13867
COc1cc(ccc1O)[C@H]1Oc2cc(O)c3c(oc(c(O)c3=O)-c3ccc(O)cc3)c2O[C@@H]1CO T13868
CNc1ncc(CN2CCC[C@@H](C2)c2nc(=O)cc([nH]2)-c2cccs2)cn1 T13869
CNc1ncc(CN2CCCC(C2)c2nc(cc(=O)[nH]2)-c2cccs2)cn1 T13869L
CC(C)CC(NC(C)=O)C(O)=O T1387
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C T13870
CN(C)C(=O)c1nc(CNC(=O)CN)n(n1)-c1ccc(Cl)cc1C(=O)c1ccccc1Cl T13871
O=C([C@](N1C/2=O)([H])C[C@]3(C(C)(C)C=C)[C@@]1([H])NC4=C3C=CC=C4)NC2=C\C5=CN=CN5 T13872
Clc1ccc-2c(c1)C(=NCc1cncnc-21)c1ccccc1Cl T13873
Clc1ccc(nc1)N1Cc2nccnc2C1=O T13874
CC1=C2[C@@]([C@H](CC[C@@H](C(C(O)=O)=C)C2)C)([H])CC1=O T13875
Cl.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)cc1 T13877
COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 T13878
Cl.COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC T13879
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F T1388
OC[C@H]1O[C@@H](Oc2ccc(O)cc2CO)[C@H](O)[C@@H](O)[C@@H]1O T13880
[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC(C)C T13881
OC(CN1CCC(=CC1)C1=NNC(=O)CC1)c1ccc(cc1)C#N T13882
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)CCC=C(C)C T13883
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]45OC[C@]3(C(=O)C[C@]12C)[C@]4([H])CC[C@H](O)[C@@H]5C)[C@H](C)CC\C=C(/C)C(O)=O T13885
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]45OC[C@]3(C(=O)C[C@]12C)[C@]4([H])CCC(=O)[C@@H]5C)[C@H](C)CC\C=C(/C)C(O)=O T13886
Cl.CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 T1389
Cl.Cl.Nc1nnc(cc1N1CCNCC1)-c1ccccc1O T13890
[Na+].[O-]C(=O)CCC#C T13893
[H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C=CCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C T13895
Cn1c2ncn(CC(=O)N3CC4(CCN(CCc5ccccc5)CC4)OC3=O)c2c(=O)n(C)c1=O T13899
CC(C)(CO)C(O)C(=O)NCCCO T1390
CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)C3CCc4cc(ccc4C3)C#N)CC(O)c2c1 T13900
COc1cc(\C=C/c2ccc(C)cc2)cc(OC)c1OC T13901
O[C@]1(CCCCC[C@H]1n1cncn1)c1ccc(Cl)cc1 T13902
CCCCCCCCCCCCCCCCCC(=O)NCCO T13903
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCN T13904
NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1 T13905
NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=S)[C@@H](O)[C@@H]1F T13907
CCOC(=O)Cc1nc(oc1-c1ccco1)-c1ccc(Cl)cc1 T13909
Cc1cc(=O)oc2c1ccc(O)c2 T1391
COC(=O)c1c(O)c2cc(OC)c(OC)c(OC)c2c(-c2ccc(OC)c(OC)c2)c1C(=O)OC T13910
O.[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](O)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@H](O)C[C@@H](O)C1=C T13911
[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](O)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T13912
CC1=C(CCCCCCCCCCCCCCCO)C(C)(C)CCC1=O T13917
Cl.COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl T13918
CC(C)(C)c1ccc(OCC(O)COc2ccc(cc2)C(O)=O)cc1 T13919
Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1 T1392
[H][C@@]12CC[C@H](OC(=O)CCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T13921
COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1 T13922
[O-][N+]([O-])=O.Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N T13923
CC1=C(CCO)SC2=Nc3nc(C)ncc3CN12 T13924
[O-][N+](=O)c1cc(ccc1NN1CCOCC1)C(F)(F)F T13925
CC1(C)[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1OS(O)(=O)=O T13926
[H][C@@]12C[C@H](C)[C@](O)(C(=O)SC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T13927
c1csc(c1)-c1nc(no1)-c1ccccc1 T13928
[Na+].CCCC([O-])=O T1393
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCCC1 T13932
OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(cc(=O)c23)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O T13933
COc1cc(OC)c(cc1OC)-c1coc2c3C=CC(C)(C)Oc3cc(O)c2c1=O T13934
C[C@@H]1CC[C@H](C=C1)C(C)=C T13935
[H][C@@]12C[C@@](C)(C[C@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O T13936
CC(C)Cc1ccc(cc1)C(C)C(O)=O T1394
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(O)=O T13946
CCN(C(=O)CCSCCC(F)(F)F)c1cn(nc1Cl)-c1cccnc1 T13948
CCC(C)(C)N\C(NC#N)=N/[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N T13949
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCOCC1)c1cc2OCOc2cc1O T13950
Cc1ccc(C)c(Cn2c(nc3ccc(cc23)-c2cnn(C)c2)C(O)c2ccncc2)c1 T13951
Clc1ccc2N\C(CN=C(c3ccccc3Cl)c2c1)=N\OCC=C T13952
[H][C@@]12C[C@]1(C(C)C)C(=O)C=C2C T13953
O=C(C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)NCCCC(N[C@H](C(N5[C@@H](C[C@H](C5)O)C(NCC6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)C(C)(C)C)=O T13954
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T13955
COc1cc2CCN(CCc3ccc(N)cc3)CCc2cc1OC T13957
OC(C[C@@H](C1=CC=CC=C1)NC([C@H]2N(C([C@H](C(C)C)C3=CC(C)=NO3)=O)C[C@H](O)C2)=O)=O T13958
CCN1CCc2c3C1CC=C(C(=O)OC)n3c1ccccc21 T13959
CCC1(C)CC(=O)NC(=O)C1 T1396
CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O T13960
[O-]C([C@@]1([H])[C@H](CO)O)=C(O)C(O1)=O.O=S(C(CC(C2=C3C=CC=C2)=O)(C)C3=O)([O-])=O.[100:1].[Na+].[Na+] T13961
OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO T13962
O=c1n2OCCc2nc2ccccc12 T13963
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(CO)CC[C@@]34C)[C@@]1(C)CCC(=O)C2(C)C T13964
Cc1ccc2OCC(=O)COc2c1 T13965
COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(oc(cc3=O)-c3ccccc3)c2OC)[C@H](O)[C@@H](O)[C@@H]1O T13966
COc1ccc(\C=C(/[N+]#[C-])\C(=C\c2ccc(OC)cc2)\[N+]#[C-])cc1 T13967
[H][C@@]12Cc3cc(O)c(OC)cc3-c3c(OC)c(OC)cc(CC[N+]1(C)C)c23 T13968
O.Nc1nc(O)c2[nH]c(=O)cnc2n1 T13969
Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1 T13969L
O.[O--].[O--].[O--].[Al+3].[Al+3].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O T1397
COc1cc(OCC=C(C)C)ccc1\C=C\C(=O)c1ccc(O)cc1 T13970
CCOC(=O)Cc1nc(oc1OCC)-c1ccc(Cl)cc1 T13972
O=C1N=C2C=CC=CN2C1(Cc1ccccc1)Cc1ccccc1 T13975
C[C@@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F T13977
OC[C@@H](O)CC(O)=O T13978
C[C@H](O)CC(O)=O T13979
C1N(C(=O)[C@@H]2N(C1=O)[C@@H](c1c(C2)c2c([nH]1)cccc2)c1ccc2c(c1)OCO2)C T1398
BrCc1ccc(cc1)-c1cc(=O)c2c(ccc3ccccc23)o1 T13981
CC(C)NCC(O)COc1cccc2cc(oc12)C(C)=O T13982
CC1=CC(C)(C)N=C(Nc2nc(-c3ccccc3)c3ccccc3n2)N1 T13983
FC(F)(F)COCCOCCN=[N+]=[N-] T13984
OCCOCCOCCOCCOCC(F)(F)F T13985
NCCOCCOCCOCCOCC(F)(F)F T13986
NOCCOCCOCCOCCOCC(F)(F)F T13987
FC(F)(F)COCCOCCOCCOCCN=[N+]=[N-] T13988
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCC(F)(F)F T13989
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O T1399
NOCCCON T13990
CC(C)(C)OC(=O)NCCNCCNC(=O)OC(C)(C)C T13991
[N-]=[N+]=NCCOCCOCCOCCN=C=S T13993
OCCOCCOCCOCCN=C=S T13994
Cn1c2cc(ccc2c(=O)oc1=O)[N+]([O-])=O T13995
ONC(=O)c1cccc2ccccc12 T13996
CCCCOC(=O)CN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC T13997
CC(C)(C)OC(=O)NOCCCON T13998
OP(O)(=O)CCCCCCCCCCBr T13999
CCOP(=O)(CCCCCCCCCCP(O)(O)=O)OCC T14000
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O T14001
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T14002
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1 T14003
Cc1cc(C)cc(NC(=N)Nc2ccccc2C(F)(F)F)c1 T14004
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(O)=O T14006
COc1cc(CCc2ccc(cc2)C2=Cc3ccccc3C3=NCCN23)cc(OC)c1OC T14007
Cc1c(C)c2OC(C)(C)CCc2c(C)c1O T14008
NCCOCCN T14009
CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(O)=C3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O T1400L
Cl.CN(C)CCOC(=O)COc1ccc(Cl)cc1 T1401
NC(COCCC(O)=O)COCCC(O)=O T14010
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO T14011
OCC(CO)NC(=O)CCOCCOCCN=[N+]=[N-] T14012
OCCOCc1ccccc1 T14013
[H][C@]12CS[C@@H](CCCCC(=O)NC(COCCC(O)=O)COCCC(O)=O)[C@@]1([H])NC(=O)N2 T14014
CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 T14015
Cc1ccc(cc1)S(=O)(=O)OCCSSCCO T14016
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](Nc1ccc([N+]([O-])=O)c2nonc12)C=O T14017
CC(C)(C)OC(=O)CCOCCOCCSSc1ccccn1 T14018
OCCOCCOCCOCCSSc1ccccn1 T14019
CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O T1402
C#CCOCCOCCOCCOCCSSc1ccccn1 T14020
OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O T14021
CC(C)(C)n1nc(Cc2ccccc2O)c2c(N)ncnc12 T14022
OC(=O)CCSSc1ccccn1 T14023
NCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O T14024
CC(C)(C)OC(=O)NCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O T14025
OC(=O)COCCOCCOCC(O)=O T14028
OC(=O)COCCOCC(O)=O T14029
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1 T1403
[H][C@]12SCC3=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(=O)OC3 T14030
OC(=O)CNC(=O)c1cccc(O)c1 T14031
OC(=O)CCN1C(=O)C=CC1=O T14032
[O-][N+](=O)c1ccccc1OCC1CC(Cc2ccccc2)C(=O)O1 T14033
ClCC(=O)c1c[nH]c2ccccc12 T14034
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)NS(C)(=O)=O T14035
Oc1ccc(cc1O)-c1oc2ccccc2c(=O)c1O T14036
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C T14037
N[C@@H](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O T14038
Cl.N[C@@H](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O T14038L
OP(O)(=O)CCCCBr T14039
Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O T1404
CCCCNC(=O)NS(=O)(=O)c1ccc(CO)cc1 T14040
OC(=O)CCCN1C(=O)C=CC1=O T14041
CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1 T14042
CC(C)(C)c1ccc(cc1)C(=O)NO T14043
OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 T14044
CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O T14045
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(NCCO)=O T14046
NCC(=O)CCC(O)=O T14047
CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3cc(ccc23)C(O)=O)c1 T14048
Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(ccc23)C(=O)ON2C(=O)CCC2=O)c1 T14049
OC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 T14050
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccc(O)cc2[nH]1 T14051
OC(=O)CCCCN1C(=O)C=CC1=O T14053
COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O T14055
OP(O)(=O)CCCCCCBr T14056
CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccc(cc23)C(O)=O)c1 T14057
Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3c2cccc3N=C=S)c1 T14058
Fc1c(F)c(F)c(OC(=O)CCCCCN2C(=O)C=CC2=O)c(F)c1F T14059
Cl.NC12CC3CC(CC(C3)C1)C2 T1406
OC(=O)CCCCCN1C(=O)C=CC1=O T14060
O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T14061
CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O T14062
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O T14063
[H][C@@]12COP(=O)(O[Na])O[C@@]1([H])[C@@H](O)[C@@H](O2)n1c(Br)nc2c1[nH]c(N)nc2=O T14064
CCn1cnc2c(N)ncnc12 T14065
Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc3OCOc3cc12 T14066
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cccc2cn1 T14067
Cl.NCCNS(=O)(=O)c1cccc2c(Cl)cccc12 T14069
OS(O)(=O)=O.NC12CC3CC(CC(C3)C1)C2.NC12CC3CC(CC(C3)C1)C2 T1406L
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O T1407
CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N T14070
N[C@H](COC1=CN=CC(C2=CC3=C(NN=C3C)C=C2)=C1)CC4=CNC5=CC=CC=C54 T14072
CCCn1cnc2n(C)c(=O)n(CCCCC(C)(C)O)c(=O)c12 T14075
Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 T14076
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cc([nH]n1)C(F)(F)F T14077
Cc1c(cccc1-c1cc(nc(N)n1)-c1cn(Cc2cccc(n2)C(C)(C)O)nn1)C#N T14078
CCCN(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)c1ncccc1C(O)=O T14079
CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O T1408
Cc1ccc(O)c(NC(=O)CCc2ccccc2)c1 T14080
[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)[C@](C)(Cn1cc[n+](C)n1)S2(=O)=O T14081
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12 T14082
OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O T14083
COC(=O)N1N(C(=O)OC)[C@@](C2CCCC2)(C1=O)c1ccccc1 T14084
Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 T14085
COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O T14086
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N T14087
Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-] T14088
CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1 T14089
COc1ccccc1OCC(O)COC(N)=O T1409
CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O T14090
OC(CNCc1ccc(cc1)-c1ccccc1)c1cccc(O)c1 T14091
CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1 T14092
O=C(N[C@@H]1C(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)CN=[N+]=[N-] T14093
CN(Cc1ccc(Cl)nc1)C(\C)=N\C#N T14094
CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2)cc1C(F)(F)F T14095
OC(=O)CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T14096
OC(=O)CCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T14097
CC(C)(C)OC(=O)CCOCCC(O)=O T14098
CC(C)(C)OC(=O)CCOCCOCCC(O)=O T14099
CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1 T1410
OC(=O)CCOCCOCCSSCCOCCOCCC(O)=O T14100
CC(C)(C)OC(=O)CCOCCOCCOCCC(O)=O T14101
COC(=O)CCOCCOCCOCCC(O)=O T14102
OC(=O)CCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F T14103
OC(=O)CCOCCOCCOCCSSCCOCCOCCOCCC(O)=O T14104
CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(O)=O T14105
COC(=O)CCOCCOCCOCCOCCC(O)=O T14106
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCC(O)=O T14108
COC(=O)CCOCCOCCOCCOCCOCCC(O)=O T14109
Cl.CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12 T1411
CC1(C)CC(CC(C)(C)N1O)NC(=O)CCOCCOCCOCCOCCOCCC(O)=O T14110
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCC(O)=O T14111
COC(=O)CCOCCOCCOCCOCCOCCOCCC(O)=O T14112
N[C@@H]([C@@H]1CC(Cl)=NO1)C(O)=O T14114
CC1(C)OB(O)c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)ccc12 T14115
Cc1c(Cl)c(ccc1N1[C@H]2CC[C@@H]1C[C@](C)(O)C2)C#N T14116
[Br-].CCCCCCCCC[n+]1c2cc(ccc2cc2ccc(cc12)N(C)C)N(C)C T14117
Cl.CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C T14118
OC(=O)CCC(O)=O.CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 T1412
FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1 T14120
CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO T14121
Cn1nc(c(\C=C2/SC(=S)NC2=O)c1SCc1ccc(Cl)cc1)C(F)(F)F T14124
OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 T14125
Cl.OC(COCCC12CC3CC(CC(C3)C1)C2)CN1CCc2ccccc2C1 T14126
Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)cc1 T14127
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H](CC(O)=O)C(O)=O)ncnc12 T14129
[Na+].CCN(CCCS([O-])(=O)=O)c1cccc(OC)c1 T14131
[N-]=[N+]=NCC(=O)ON1C(=O)CCC1=O T14132
CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2N(COP(O)(O)=O)C(=O)CCc2c1 T14134
CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5cc(F)cc(F)c5[nH]4)c3c2)c1C T14136
Cc1cc2ncc(nc2cc1C)-c1ccccc1 T14137
COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O T14138
CCCCC[C@H](O)c1ccc(cc1)N1[C@@H](CCCc2ccc(s2)C(O)=O)CCC1=O T14139
[Na+].[O-]S(=O)(=O)CCS T1414
CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O T14140
Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc(O)cc1)-c1ccccc1 T14141
Oc1ccc(cc1O)C(=O)C(=C\c1ccc2oc(=O)[nH]c2c1)\C#N T14142
CCc1ccc(cc1)C1=CC(C)(C)Sc2ccc(cc12)C#Cc1ccc(cc1)C(O)=O T14143
CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 T14144
C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O T14145
CCCCC[C@H](O)c1ccc(cc1)N1[C@@H](COCc2ccc(s2)C(O)=O)CCC1=O T14146
Cc1cc(sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T14147
CC(C)Oc1ccc2c(c1)oc1ccc(cc1c2=O)C(O)=O T14148
OP(O)(O)=O.NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N T14149
Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 T1415
FC(F)(F)Oc1ccc(NC2CCN(CC2)C2CC(=O)N(C2=O)c2ccc(Cl)cc2)cc1 T14150
OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 T14151
COc1ccc2SCCN(Cc2c1)C(=O)C(O)=O T14153
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C T14154
[N-]=[N+]=NCCOCCOCCOCCOCCC=O T14155
[N-]=[N+]=NCCOCCOCCOCC=O T14156
CC(C)(C)OC(=O)CCOCCOCCOCCOCC=O T14157
CC(C)(C)OC(=O)COCCOCCOCCOCC=O T14158
[N-]=[N+]=NCCOCCOCCOCCOCCOCC=O T14159
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O T1416
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCC=O T14160
CC(C)(C)OC(=O)CCOCCC=O T14161
NCCOCCOCCNC(=O)c1ccc(C=O)cc1 T14162
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1 T14163
CC(C)(C)OC(=O)CCOCCOCCNC(=O)c1ccc(C=O)cc1 T14164
O=Cc1ccc(cc1)C(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T14165
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1ccc(C=O)cc1 T14166
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1 T14167
CC(C)(C)OC(=O)NOCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1 T14168
OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1 T14169
OC(=O)CCOCCOCCNC(=O)c1ccc(C=O)cc1 T14171
O=Cc1ccc(cc1)C(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O T14172
NCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1 T14173
OC(=O)CCOCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1 T14174
OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2nccnc12 T14175
CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O T14176
O=C(NC(Cc1ccccc1)C(=O)C(=O)NC1CC1)[C@H]1CCC(=O)N1Cc1ccccc1 T14178
Clc1ccc(cc1)C(\Cn1ccnc1)=C\c1ccc(Cl)cc1Cl T14179
[Na+].CCCC(=O)Nc1ncnc2n(cnc12)C1OC2COP([O-])(=O)OC2C1OC(=O)CCC T1418
Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)O[Na] T14181
CC(C)(C)OC(=O)CCOCCC#C T14182
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCC#C T14183
OC(=O)CCCCCCCCCCCC#C T14184
OC(=O)CCCCCCCCCCCCCC#C T14185
OC(=O)CCCCCCCCCCCCCCCC#C T14186
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O T14187
FC(F)(F)Oc1ccc(cc1)-c1ccnc(Nc2ccc3[nH]ncc3c2)n1 T14188
CCCS(=O)CCCN(CC)CC(O)COc1ccc(cc1)C#N T14189
C(CNC[C@H]1CCc2ccccc2O1)CNC1=NCCCN1 T14190
Cl.Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F T14191
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C T14192
[I-].C[N+](C)(C)CCC(=O)c1ccc2ccccc2c1 T14194
Nc1ccn([C@@H]2O[C@@](CO)(CCl)[C@@H](O)[C@H]2F)c(=O)n1 T14195
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 T14196
CCn1nnc(n1)C1=CCCN(C)C1 T14197
OC(=O)\C=C/C(O)=O.CCn1nnc(n1)C1=CCCN(C)C1 T14197L
N[C@@H](COC(c1cccc(F)c1)c1ccccc1OCc1ccccc1)C(O)=O T14198
CC(C)[C@H](N)C(=O)NCCCS(O)(=O)=O T14199
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)C(=O)N1CCN(C)CC1 T1420
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F T14201
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1ccon1)-c1ccc(cc1)C(F)(F)F T14202
[Br-].CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1 T14206
[H][C@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(CC)(CC)O2)C(=O)CO T14207
C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 T14208
[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C T14209
OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl T1421
[Na+].CC#CC(CC([O-])=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 T14215
OC(C[C@H](C#CC)C1=CC=C(C=C1)OCC2=CC=CC(C3=CC=C(C(F)(F)F)C=C3)=C2)=O T14216
CC(=O)N1CCC(CC1)c1nccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1 T14217
CC(C)c1nn(C(=O)NC(C)(C)C)c(=O)n1N T14218
Cc1c(O)c2ccccc2c(O)c1OC(=O)c1ccc(N)cc1 T14219
COC(=O)C1=C(NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N T1422
NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 T14220
CC(C)(C)OC(=O)NCCOCCOCCOCCSSCCN T14221
NCCOCCC(O)=O T14222
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO T14225
NCCOCCOCCC(O)=O T14228
CC(C)(C)OC(=O)NNC(=O)CCOCCOCCN T14229
Cc1cccc(C(O)=O)c1O T1423
NCCOCCOCCCC(O)=O T14230
CC(C)(C)OC(=O)NCCOCCN T14231
NCCOCCOCCOCCC(O)=O T14232
NCCOCCOCCOCCN T14233
NCCOCCOCCOCCN=[N+]=[N-] T14234
NCCOCCOCCOCCS(O)(=O)=O T14235
NCCOCCOCCOCC(O)=O T14236
NCCOCCOCCOCCO T14237
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN T14238
NCCOCCOCCOCCOCCN T14239
[C@@H]12[C@@]([C@@](CC2)(C#C)O)(CC[C@H]2[C@H]1CCc1c2ccc(c1)O)C T1424
NCCOCCOCCOCCOCCCC(O)=O T14240
NCCOCCOCCOCCOCC(O)=O T14241
CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCN T14242
NCCOCCOCCOCCOCCOCCN T14243
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCN T14244
NCCOCCOCCOCCOCCOCCC(O)=O T14245
NCCOCCOCCOCCOCCOCC(O)=O T14246
NCCOCCOCCOCCOCCOCCO T14247
NCCOCCOCCOCCOCCOCCOCCOCCN T14248
NCCOCCOCCOCCOCCOCCOCCN T14249
[K+].Cc1cccn2c1ncc(-c1nnn[n-]1)c2=O T1425
NCCOCCOCCOCCOCCOCCOCCOCCOCCN T14250
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN T14251
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T14253
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN T14254
NC(COCCC(O)=O)(COCCC(O)=O)COCCC(O)=O T14256
NCCSSCCO T14257
NCCSSCCC(O)=O T14258
NOCCOCCN=[N+]=[N-] T14259
NC(=O)c1cnccn1 T1426
NOCCOCC#C T14260
NOCCOCCO T14261
NOCCOCCOCCN=[N+]=[N-] T14262
NOCCOCCOCCOCCC(O)=O T14263
NOCCOCCOCCOCCN=[N+]=[N-] T14264
NOCCOCCOCCOCCBr T14265
CC(C)(C)OC(=O)CCOCCOCCOCCON T14266
CC(C)(C)OC(=O)NCCOCCOCCOCCON T14267
COC(=O)CCOCCOCCOCCON T14268
NOCCOCCOCCOCC#C T14269
OC(=O)c1ccccc1OP(O)(O)=O T1427
NOCCOCCOCCOCCOCCC(O)=O T14270
NOCCOCCOCCOCCO T14271
NOCCOCCOCCOCCOCCN=[N+]=[N-] T14272
CC(C)(C)OC(=O)CCOCCOCCOCCOCCON T14273
CC(C)(C)OC(=O)COCCOCCOCCOCCON T14274
NOCCOCCOCCOCCOCC#C T14275
NOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14276
COCCOCCOCCOCCOCCOCCOCCON T14277
NOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T14278
COCCOCCOCCOCCOCCOCCOCCOCCON T14279
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F T1428
COC1(OOC11C2CC3CC(C2)CC1C3)c1cccc(OP(O)(O)=O)c1 T14280
OP(O)(=O)CNCc1cc(cc2[nH]c(=O)c(=O)[nH]c12)[N+]([O-])=O T14281
S=C(N1CCN(C2=C3OC4=CC=CC=C4C3=NC=N2)CC1)NCC5=CC=C6OCOC6=C5.[x].Cl T14282
[O-][N+](=O)c1ccc(cc1C(=O)ON1C(=O)CCC1=O)N=[N+]=[N-] T14286
CC(C)(C)NCC(O)COc1ccccc1NC(=O)c1ccco1 T14287
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T14288
FC(F)(Cl)c1cc(nc2cc(nn12)C(=O)NCc1cccs1)-c1ccco1 T14289
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T1429
COc1ccc(cc1)C1C(=O)c2ccccc2C1=O T14291
COc1ccc(cc1)-c1nnc(C)nc1-c1ccc(OC)cc1 T14292
FC(F)(F)c1nc2ccccn2c1-c1csc(Nc2ccc(cc2)C(F)(F)F)n1 T14296
OC(=O)CCNC(=O)c1ccccc1 T1430
Cc1nnc2CN=C(c3cc(CCC(=O)N4CCOCC4)sc3-n12)c1ccccc1Cl T14300
CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1 T14301
[H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1cn(=O)ccn1)C(=O)N[C@H](CO)C(C)(C)C T14302
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO T14304
CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(cc1)C#CC#N T14308
O=C(CCOCCOCCOCCOCC#C)NCCCC(=O)Nc1ccc(cc1)C#CC#N T14309
COc1c2ccoc2c(OC)c2oc(C)cc(=O)c12 T1431
NCCCC(=O)Nc1ccc(cc1)C#CC#N T14311
CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1 T14312
O=C1N=C(N)C=CN1[C@@H]2S[C@H](CO)OC2 T14313
CC(C)C(CC=C)C(=O)NC(N)=O T14314
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 T14315
CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O T14316
C[C@@H](CC(=O)C=C(C)C)c1ccc(C)cc1 T14317
CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T1432
O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)-c1ccncc1 T14321
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 T14322
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 T14323
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H]([C@@H]2C)N1CCS(=O)(=O)CC1)O4 T14324
CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OOC1(O2)[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 T14325
CCCc1c(OCc2cccn3c2ncc(-c2nnn[nH]2)c3=O)ccc(C(C)=O)c1O T14326
C[C@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1 T14327
C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 T14329
Cl.C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 T1433
C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\C=C\C(\C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O T14330
OC1CCN(CC1)c1ccc(Nc2nc(nc3cn[nH]c(=O)c23)N2CCC(CC#N)CC2)cc1 T14331
[H][C@@]12CC[C@](COC)(OC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(\C=N\O)cc1 T14332
[Cl-].[Cl-].NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 T14333
CC(C)c1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc2nonc12 T14334
Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc2Cl)c1 T14336
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1 T14337
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F T14338
CCOP(=S)(OCC)SCn1nc(OC)sc1=O T14339
[S-][Mo]([S-])(=S)=S.C[N+](C)(C)CCO.C[N+](C)(C)CCO T14341
C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O T14343
[Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 T14345
Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 T14346
CCC(=O)Nc1c2sscc2n(C)c1=O T14347
O=C(C1CCCCC1)N1CC2N(CCc3ccccc23)C(=O)C1 T1435
[H][C@]12O[Au+][SH-]C1O[C@H](CO)[C@@H](O)[C@@H]2O T14351
O=C(COCCc1cnn[nH]1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 T14352
Cc1ccc(C(=O)CC(C(O)=O)c2c[nH]c3ccccc23)c(C)c1 T14353
O=C(C1=CC=C(OC(F)(F)O2)C2=C1)NC3CC4=C(C=CC=C4)C3 T14355
Cc1cccc(COCCCOCc2coc(n2)-c2ccccc2)c1C(O)=O T14356
Nc1ccc(cc1)C(=O)NCC(O)=O T1436
COc1cccc(c1)[C@]1(O)C[C@@H](O)CC[C@H]1CN(C)C T14361
Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1 T14362
CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1 T14363
Cc1nccc(n1)-c1cn(Cc2ccccc2)c2cnccc12 T14364
CC(C)Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 T14365
Cl.Cl.OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 T14366
C1CC(CCO1)c1c[nH]c2ncnc(NC3CCC(CC3)N3CCOCC3)c12 T14367
CC(C)(CO)[C@@H](O)C(=O)NCCCO T1437
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1 T14372
CC(C)(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(F)c1 T14373
COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 T14374
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 T14375
COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F T14377
O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2[nH]cnc12 T14379
O[N+]([O-])=O.Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 T1438
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CCO)CC1 T14380
CNCCOc1ccccc1C1(CC1)Nc1nccn(-c2cc(cc(F)c2C)C(=O)NC2CC2)c1=O T14381
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 T14382
CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 T14383
CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12 T14384
Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 T14385
CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1ccccc1 T14386
COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F T14387
CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 T14388
Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N T14389
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1\C=C\C(=O)OC(C)(C)C)C(=O)OCC T1439
O=C(N[C@H](CO)[C@H](O)C1=CC=C([N+]([O-])=O)C=C1)CN=[N+]=[N-] T14391
[H][C@]12CS[C@@H](CCCCC(=O)NCCSSCCN=[N+]=[N-])[C@@]1([H])NC(=O)N2 T14392
N[C@H](COCCOCCOCCN=[N+]=[N-])C(O)=O T14393
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCN=[N+]=[N-] T14394
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCN=[N+]=[N-] T14395
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-] T14396
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCN=[N+]=[N-] T14397
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14398
O.CC(O)C(O)=O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 T1440
OCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14400
OC(=O)CCOCCOCCSSCCN=[N+]=[N-] T14401
NCCOCCN=[N+]=[N-] T14402
CC(C)(C)OC(=O)CCOCCN=[N+]=[N-] T14403
CC(C)(C)OC(=O)COCCN=[N+]=[N-] T14404
OC(=O)CCOCCN=[N+]=[N-] T14405
CNCCOCCN=[N+]=[N-] T14406
[N-]=[N+]=NCCOCC(=O)ON1C(=O)CCC1=O T14407
OC(=O)COCCN=[N+]=[N-] T14408
COC(=O)CCOCCN=[N+]=[N-] T14409
[N-]=[N+]=NCCOCCC(=O)ON1C(=O)CCC1=O T14410
Fc1c(F)c(F)c(OC(=O)CCOCCN=[N+]=[N-])c(F)c1F T14411
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14413
OCCOCCN=[N+]=[N-] T14416
CC(C)(C)OC(=O)COCCOCCN=[N+]=[N-] T14417
OC(=O)CCOCCOCCN=[N+]=[N-] T14418
NCCOCCOCCN=[N+]=[N-] T14419
CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12 T1442
OS(=O)(=O)CCOCCOCCN=[N+]=[N-] T14420
OC(=O)COCCOCCN=[N+]=[N-] T14421
CC(C)(C)OC(=O)NNC(=O)CCOCCOCCN=[N+]=[N-] T14422
CC(C)(C)OC(=O)N[C@H](COCCOCCOCCN=[N+]=[N-])C(O)=O T14423
OCCOCCOCCN=[N+]=[N-] T14424
[N-]=[N+]=NCCOCCOCCOCCNCC(=O)ON1C(=O)CCC1=O T14425
CC(C)(C)OC(=O)COCCOCCOCCN=[N+]=[N-] T14426
OCCCOCCOCCOCCN=[N+]=[N-] T14427
COC(=O)COCCOCCOCCN=[N+]=[N-] T14428
[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O T14429
Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2 T1443
COC(=O)CCOCCOCCOCCN=[N+]=[N-] T14430
[N-]=[N+]=NCCOCCOCCOCC(=O)ON1C(=O)CCC1=O T14431
[N-]=[N+]=NCCOCCOCCOCCOC(=O)ON1C(=O)CCC1=O T14432
CCOP(=O)(CCOCCOCCOCCN=[N+]=[N-])OCC T14433
[N-]=[N+]=NCCOCCOCCOCCSSCCOCCOCCOCCN=[N+]=[N-] T14434
[O-][N+](=O)c1ccc(OC(=O)OCCOCCOCCOCCN=[N+]=[N-])cc1 T14437
OCCOCCOCCOCCN=[N+]=[N-] T14438
OC[C@H]1O[C@H](OCCOCCOCCOCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]1O T14439
CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 T1444
OCC(CO)(CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-] T14442
OC[C@H]1O[C@@H](OCCOCCOCCOCCN=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O T14443
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN=[N+]=[N-] T14444
OC(=O)CCOCCOCCOCCOCCN=[N+]=[N-] T14445
COC(=O)CCCOCCOCCOCCOCCN=[N+]=[N-] T14446
OCCCOCCOCCOCCOCCN=[N+]=[N-] T14447
CC(C)(C)OC(=O)COCCOCCOCCOCCN=[N+]=[N-] T14448
CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-] T14449
COc1ccc2cccc(CCNC(C)=O)c2c1 T1445
NNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-] T14450
[N-]=[N+]=NCCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O T14451
OC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-] T14454
OCCOCCOCCOCCOCCN=[N+]=[N-] T14456
NCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14457
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-] T14458
[N-]=[N+]=NCCOCCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O T14459
Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C T1446
Fc1c(F)c(F)c(OC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-])c(F)c1F T14460
OC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-] T14461
[N-]=[N+]=NCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T14462
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOC(=O)ON1C(=O)CCC1=O T14464
OC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14465
OCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14466
NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14467
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14468
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14469
NC(Cc1ccc(Cl)cc1)C(O)=O T1447
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T14470
OCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14472
OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14473
NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14474
NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14475
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 T1448
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14482
NCCSSCCN=[N+]=[N-] T14484
[N-]=[N+]=NCCSSCCN=[N+]=[N-] T14485
CC(C)(C)OC(=O)CCOCCOCCSSCCN=[N+]=[N-] T14486
COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1 T14487
Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2F)c(=O)n1 T14489
Cl.Cl.Nc1nc2CCN(CC=C)CCc2s1 T14490
CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 T14491
CC(C)C(=O)OC[C@]1(O[C@H]([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)n1ccc(N)nc1=O)N=[N+]=[N-] T14493
CN1Cc(cc(cc2)Cl)c2-n2c(C(CC3)CCC3Oc3ncccc3)nnc2C1 T14494
[H][C@@]12COCCN1C(=O)c1c(O)c(=O)ccn1N2[C@@H]1c2ccccc2SCc2c(F)c(F)ccc12 T14495
Cc1ccc(cc1)C(=O)Nc1noc2ccccc12 T14496
Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F T14497
Nn1cnc2scc(-c3ccc(Cc4ccccc4)cc3)c2c1=O T14498
COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3CN(Cc4ccc(C)c(C)c4)CCc23)c1 T14499
CCn1c2ccc(C)cc2c2cc(ccc12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O T14500
Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23 T14502
CCOc1cc(F)c(Cn2nc(c(C)c2C2CC2)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1 T14503
OC[C@@H]1Cc2cccc(Oc3cccc(OS(=O)(=O)CCCC(F)(F)F)c3)c2C1 T14504
CCOc1cc(F)c(Cn2nc(c(C)c2OC)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1 T14505
NC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N T14506
COc1ccc(Cc2nc(=O)c3c(C)nc([C@@H](CCCc4ccccc4)[C@@H](C)O)n3[nH]2)cc1OC T14507
Cl.Oc1cccc(OCC2CC2)c1-c1cc([C@@H]2CCCNC2)c2COC(=O)Nc2n1 T14508
CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOC[C@@H]1C T14509
O.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T1451
COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3C)=Nc12 T14511
Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1 T14512
CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1 T14513
[Na]OC(=O)c1cc(nc2ccccc12)-c1cc(C(=O)O[Na])c2ccccc2n1 T14514
[O-][N+](=O)c1cc(Cl)c(Nc2ccc3NC(=O)CCc3c2)cc1OC1CCOCC1 T14515
[Na+].CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C([O-])=O)c3=O T1451L
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 T1452
C1CC[C@@]2(CCCN(C2)c2cc[nH]c3ncc(-c4ccncn4)c23)NC1 T14521
O=C1SS(=O)(=O)c2ccccc12 T14522
OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F T14525
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 T14526
CCCCN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O T14527
CCOP(=S)(OCC)SCc1nc2cc(Cl)cc(Cl)c2o1 T14528
OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1 T14529
Cl.NC(=N)NC(=N)NCCc1ccccc1 T1453
NCCN(CCN)Cc1ccc(CN(CCN)CCN)cc1 T14530
CS(=O)(=O)c1ccc(C(=O)C2=C(Sc3ccccc3)C3CCC(C3)C2=O)c(Cl)c1 T14531
Cc1ccc(cc1)S(=O)(=O)OCCOCc1ccccc1 T14532
NCCOCCOCc1ccccc1 T14533
[N-]=[N+]=NCCOCCOCc1ccccc1 T14534
CC(C)(C)OC(=O)COCCOCCOCc1ccccc1 T14535
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCc1ccccc1 T14536
CC(C)(C)OC(=O)COCCOCCOCCOCc1ccccc1 T14537
OC(=O)CCOCCOCCOCCOCc1ccccc1 T14538
NCCOCCOCCOCCOCCOCc1ccccc1 T14539
Nc1nc2n(COCCO)cnc2c(=O)[nH]1 T1454
[N-]=[N+]=NCCOCCOCCOCCOCCOCc1ccccc1 T14540
CS(=O)(=O)OCCOCCOCCOCCOCCOCc1ccccc1 T14541
OC(=O)CCOCCOCCOCCC(=O)OCc1ccccc1 T14542
CC(C)(C)OC(=O)CCOCCOCCOCCC(=O)OCc1ccccc1 T14543
O=C(CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)OCc1ccccc1 T14544
COC1=C(OC)C2=C[N+]3=C(C(C(CC3)=C4)=CC5=C4OCO5)C=C2C=C1.[Cl-].O T14545
CC(C(O)=O)c1ccc2Oc3ccc(C)cc3CC(=O)c2c1 T14546
O=C1C2=C(O)C=C(O)C=C2CCCCC[C@H](O)CCC[C@H](C)O1 T14548
[Na+].Nc1nc([O-])c2ncn(COCCO)c2n1 T1454L
O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1 T1455
COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(cn1)C(N)=O T14551
Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 T14553
Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12 T14556
CCOCCn1cc(ccc1=O)C(=O)Nc1ccc(cn1)-n1nc(cc1C(F)(F)F)-c1cccnc1 T14557
Cc1nc2ccccc2c(-c2ccc3OCCc4ccnc2c34)c1[C@H](OC(C)(C)C)C(O)=O T14559
Cc1cc2n(C)c(cc2c(Cl)c1Cl)C(=O)N[C@H](CO)c1ccc(cc1)S(=O)(=O)CC(O)=O T14564
CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N T14566
CCC(F)(F)c1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)S(C)(=O)=O T14567
Cc1c(ncnc1C(=O)Nc1ccc(CN)cc1)N1CCC(CC1)(C#N)c1ccccc1 T14568
NCc1cccc(CNc2ncnc3c(ncnc23)N2CCN(Cc3ccccc3)CC2)c1 T14569
OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O T1457
CCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2o1 T14570
COc1ccc(cc1NNC(=O)OC(C)C)-c1ccccc1 T14571
[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)[C@@]1([H])NC(=O)N2 T14576
NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 T14577
NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 T14578
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)ON1C(=O)CCC1=O T14579
C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 T1458
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(O)=O)[C@@]1([H])NC(=O)N2 T14582
[N-]=[N+]=NCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12 T14583
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCNC(=O)CCCC#C)[C@@]1([H])NC(=O)N2 T14584
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)[C@@]1([H])NC(=O)N2 T14587
OC(=O)CCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 T14589
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCO)[C@@]1([H])NC(=O)N2 T14590
[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 T14591
[H][C@@]12CS[C@H](CCCCC(=O)NCCCOCCOCCOCCCN)[C@]1([H])NC(=O)N2 T14592
NOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12 T14595
[H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCC(=O)NN)[C@]1([H])NC(=O)N2 T14596
O=C(O)CCOCCOCCOCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O T14597
[H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCOCC#C)[C@]1([H])NC(=O)N2 T14598
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCN)[C@@]1([H])NC(=O)N2 T14599
Cl.CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1 T1460
[H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCO)[C@]1([H])NC(=O)N2 T14602
CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T1461
O=C1N[C@]2(CS[C@H]([C@]2(N1)[H])CCCCC(OC3=C(C(F)=C(C(F)=C3F)F)F)=O)[H] T14612
Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 T14613
Cl.OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 T14614
Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1 T14615
NOCCOCCON T14617
NOCCOCCOCCON T14618
NOCCOCCOCCOCCON T14619
C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O T1462
NOCCOCCOCCOCCOCCON T14620
NOCCOCCOCCOCCOCCOCCOCCOCCON T14621
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O T14625
OC(=O)CCOCCC(O)=O T14626
O=C(CCOCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T14627
Fc1c(F)c(F)c(OC(=O)CCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F T14628
CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 T1463
OC(=O)CCOCCOCCC(O)=O T14630
O=C(CCOCCOCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T14632
OC(=O)CCOCCOCCOCCC(O)=O T14634
O=C(CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T14635
OS(=O)(=O)CCOCCOCCOCCS(O)(=O)=O T14637
OC(=O)CCOCCOCCOCCOCCC(O)=O T14638
O=C(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T14639
OS(=O)(=O)CCOCCOCCOCCOCCS(O)(=O)=O T14641
OC(=O)CCOCCOCCOCCOCCOCCC(O)=O T14642
OC(=O)CCOCCOCCOCCOCCOCCOCCC(O)=O T14645
OC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(O)=O T14647
OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T14650
C#CCOCCOCC#C T14653
C#CCOCCOCCOCC#C T14655
C#CCOCCOCCOCCOCC#C T14656
C#CCOCCOCCOCCOCCOCC#C T14657
C#CCOCCOCCOCCOCCOCCOCC#C T14658
C#CCOCCOCCOCCOCCOCCOCCOCC#C T14659
CC1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T1466
C#CCOCCOCCOCCOCCOCCOCCOCCOCC#C T14660
C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C T14661
C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C T14662
Cc1ccc(cc1)S(=O)(=O)OCCSSCCOS(=O)(=O)c1ccc(C)cc1 T14663
COCc1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O T14664
FC(F)(F)C(O)=O.C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C6=CC=C(C=C6)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC7=CC=C(C=C7)O T14665L
C1CCc2c(C1)cccc2Nc1ccccc1-c1nnn[nH]1 T14666
CCCCCCC1CCC\C1=N\NC(N)=S T14667
O=C(CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T14668
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)COC)n1 T14669
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1 T1467
[H][C@@]12[C@H](O)CCN1C(=O)N(C2=O)c1ccc(C#N)c(Cl)c1C T14675
COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 T14677
COc1cc(ccc1OC[C@H](O)C1CC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 T14678
CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O T1468
Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O T14685
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(OP(O)(O)=O)cc3)C2=O)cc1 T14686
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC T14687
CC1(C)CC=C(C#Cc2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 T14689
OC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1 T1469
CN1N=Cc2ccccc2[C@H](NC(=O)NC(=O)[C@@H](O)c2cc(F)cc(F)c2)C1=O T14690
CC(C)C[C@H](N)COc1cc2n(C)c(=O)c3c(C)nccc3c2cc1C#N T14691
CC(C)CN(CC(=O)N(CCCN1CCCC1=O)CC(N)=O)C(=O)CNCCc1ccccc1F T14693
COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)oc2c1O T14694
COc1ccc(Cl)cc1NC[C@@H]1[C@@H](c2ccc(cc2)S(N)(=O)=O)C1(C)C T14695
CC(C)(C)OC(=O)COCCOCc1ccccc1 T14696
OC(=O)COCCOCc1ccccc1 T14697
CC(C)(C)OC(=O)COCCOCCOCCOCCOCc1ccccc1 T14698
OCCOCCOCCOCCOCc1ccccc1 T14699
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCc1ccccc1 T14700
OCCOCCOCCOCCOCCOCc1ccccc1 T14701
OCCOCCOCCOCCOCCOCCOCc1ccccc1 T14702
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(CC[Si](C)(C)C)c3Cn1c2=O T14703
CC(C)(C)OC(=O)NOCCSSCCO T14705
CC(C)(C)OC(=O)NOCCOCCN=[N+]=[N-] T14706
CC(C)(C)OC(=O)NOCCOCCN T14707
CC(C)(C)OC(=O)NOCCOCC#C T14708
CC(C)(C)OC(=O)NOCCOCCOCCN T14709
s1cccc1[C@@H](Oc1cccc2c1cccc2)CCNC.Cl T1471
CC(C)(C)OC(=O)NOCCOCCOCC(O)=O T14710
CC(C)(C)OC(=O)NOCCOCCO T14711
CC(C)(C)OC(=O)NOCCOCCOCCOCCC(O)=O T14712
CC(C)(C)OC(=O)NOCCOCCOCCOCCN=[N+]=[N-] T14713
CC(C)(C)OC(=O)NOCCOCCOCCOCCBr T14714
CC(C)(C)OC(=O)NOCCOCCOCCOCCN T14715
CC(C)(C)OC(=O)NOCCOCCOCCOCCS T14716
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCN=[N+]=[N-] T14717
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCC(O)=O T14718
CC(C)(C)OC(=O)NOCCOCCOCCOCCON T14719
[Cl-].OC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1 T1472
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCC#C T14720
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCONC(=O)OC(C)(C)C T14721
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCC#C T14722
CC(C)(C)OC(=O)NOCCOCCOCCOCCO T14723
CC(C)(C)OC(=O)NCCSSCCN T14724
CC(C)(C)OC(=O)NCC(=O)NCCCOCCOCCOCCCN T14725
CC(C)(C)OC(=O)NCCOCCOCCN=[N+]=[N-] T14727
CC(C)(C)OC(=O)NCCOCCOCCOCCC(O)=O T14728
CC(C)(C)OC(=O)NCCOCCOCCOCCN=[N+]=[N-] T14729
[C@]123[C@@]([C@@H]4[C@@H](CC3)[C@H]3[C@](CC4)([C@H](CC3)O)C)(CC(=C([C@H]1O2)O)C#N)C T1473
CC(C)(C)OC(=O)NCCOCCOCCOCCOCC#C T14730
CC(C)(C)OC(=O)NCCOCCC(=O)ON1C(=O)CCC1=O T14731
CC(C)(C)OC(=O)NCCSSCCC(O)=O T14733
CC(C)(C)OC(=O)NCCOCCC(O)=O T14734
CC(C)(C)OC(=O)NCCOCC(O)=O T14735
CC(C)(C)OC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O T14736
CC(C)(C)OC(=O)NCCOCCOCCC(O)=O T14737
CC(C)(C)OC(=O)NCCOCCOCC(O)=O T14738
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)OC(C)(C)C T14739
CC(C)(C)OC(=O)NOCCOCCOCC#C T14740
CC(C)(C)OC(=O)NCCOCCOCCOCC(O)=O T14741
CC(C)(C)OC(=O)NCCOCCOCCOCC#C T14742
CC(C)(C)OC(=O)NCCOCCOCCOCCS(O)(=O)=O T14743
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-] T14744
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCCC(O)=O T14745
CC(C)(C)OC(=O)NCCOCCOCCOCCOCC(O)=O T14746
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14747
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCC(O)=O T14748
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCC#C T14749
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCN T14750
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14751
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(O)=O T14752
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCC#C T14753
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T14754
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14755
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN T14756
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCC#C T14757
CCCN[C@H]1CCc2nc(N)sc2C1 T1476
CC(C)(C)OC(=O)CCOCCOCCS(O)(=O)=O T14760
CCOP(=O)(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)OCC T14761
CC(C)(C)OC(=O)CCOCCOCCOCCOCCS(O)(=O)=O T14762
Cc1ccnc(NC(c2ccc3ccc(C)nc3c2O)c2ccccc2[N+]([O-])=O)c1 T14763
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C T14765
CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 T14766
Cl.COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 T14767
CC(C)(C)OC(=O)CCOCCOCCOCCBr T14768
OC(=O)COCCOCCOCCBr T14769
Cl.Cl.CCCN[C@H]1CCc2nc(N)sc2C1 T1476L
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N T1477
OCCOCCOCCBr T14770
CC(C)(C)OC(=O)CCOCCOCCOCCOCCBr T14771
CC(C)(C)OC(=O)COCCOCCOCCOCCBr T14772
OCCOCCOCCOCCBr T14773
Cc1ccc2oc(cc(=O)c2c1[N+]([O-])=O)C(F)(F)F T14774
COc1ccc2oc(cc(=O)c2c1[N+]([O-])=O)C(F)(F)F T14775
C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)n1 T14776
Cc1ccc(cc1)C(=O)Nc1cnc(N2CCC(CC2)(N2CCCCC2)C(N)=O)c(c1)C(O)=O T14777
CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1 T14778
O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23 T14779
O.O.Cl.Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C T1478
CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)-c1ccc(c(c1)C(F)(F)F)C(F)(F)F T14780
Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl T14782
OC(=O)CCOCCBr T14783
CC(C)(C)OC(=O)CCOCCBr T14784
CC(C)(C)OC(=O)COCCBr T14785
OC(=O)COCCBr T14786
OCCOCCBr T14787
BrCCOCCOCCBr T14788
OC(=O)CCOCCOCCBr T14789
[C@H]12[C@@H]([C@H](CO2)O[N+](=O)[O-])OC[C@H]1O[N+](=O)[O-] T1479
BrCCOCCOCCN=[N+]=[N-] T14790
CC(C)(C)OC(=O)CCOCCOCCBr T14791
CC(C)(C)OC(=O)COCCOCCBr T14792
CCOP(=O)(CCOCCOCCBr)OCC T14793
OP(O)(=O)CCOCCOCCBr T14794
BrCCOCCOCCOCCN=[N+]=[N-] T14795
BrCCOCCOCCOCCBr T14796
OC(=O)CCOCCOCCOCCBr T14797
OP(O)(=O)CCOCCOCCOCCBr T14798
CC(C)(C)OC(=O)COCCOCCOCCBr T14799
CCOP(=O)(CCOCCOCCOCCBr)OCC T14800
OC(=O)CCOCCOCCOCCOCCBr T14801
BrCCOCCOCCOCCOCCN=[N+]=[N-] T14802
BrCCOCCOCCOCCOCCBr T14803
OCCOCCOCCOCCOCCBr T14804
BrCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14805
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCBr T14806
BrCCOCCOCCOCCOCCOCCBr T14807
OC(=O)CCOCCOCCOCCOCCOCCBr T14808
CCOP(=O)(CCOCCOCCOCCOCCOCCBr)OCC T14809
C(=O)([C@@H](N)CSCCCO)O T1481
OP(O)(=O)CCOCCOCCOCCOCCOCCBr T14810
OCCOCCOCCOCCOCCOCCBr T14811
BrCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14812
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCBr T14813
BrCCOCCOCCOCCOCCOCCOCCBr T14814
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CBr T14816
OC(=O)CCOCCOCCNC(=O)CBr T14817
BrCC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O T14818
BrCC(=O)NCCOCCOCCOCCN=[N+]=[N-] T14819
Cc1cc(C2CCCCC2)n(O)c(=O)c1 T1482
OC(=O)CCOCCOCCOCCNC(=O)CBr T14820
CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)CBr T14821
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)CBr T14822
OC(=O)CCOCCOCCOCCOCCNC(=O)CBr T14823
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)CBr T14824
BrCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T14825
BrCC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-] T14826
Br\C=C1/CCC(C(=O)O1)c1cccc2ccccc12 T14829
Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 T1483
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 T14830
OC(=O)c1sc2cc(Cl)ccc2c1Cl T14834
CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 T14835
OC(=O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1 T14836
OP(O)(=O)CCCCP(O)(O)=O T14837
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCS(O)(=O)=O T14838
CCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O T14839
CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O T1484
CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T14840
CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc21 T14841
O[C@H](CCN1[C@@H](CCCCCCC(O)=O)C(=O)NC1=O)C1CCCCC1 T14842
CC[C@H]([C@H](C)c1ccc(O)c(F)c1)c1ccc(O)c(F)c1 T14843
CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 T14844
Cl.C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O T14845
CN1c2ccc(Cl)cc2C(=NC(Cc2ccc3ccccc3c2)C1=O)c1ccc(O)cc1 T14846
Oc1ccc2c3CCNCc3c(=O)oc2c1C1OCCCO1 T14847
CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C T14849
CC(C)(C)N.N1([C@@H]2[C@H](C[C@H]1C(=O)O)CCCC2)C(=O)[C@@H](N[C@H](C(=O)OCC)CCC)C T1484L
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T1485
CCOP(=O)(NCCNP(=O)(OCC)OCC)OCC T14851
Fc1ccc(cc1)-c1nc2c(o1)C(=O)c1ccccc1C2=O T14852
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC T14853
COC1=CC(C2=NC=CC=C2)=NC(/C=N/O)=C1.[(E)] T14854
C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C T14856
Cc1ccc(N2CCNCC2)c(c1)S(O)(=O)=O T14857
[C@H]1([C@H]([C@@H](C=C(C1)C(=O)OCC)OC(CC)CC)NC(=O)C)N.P(=O)(O)(O)O T1486
CCCCCCCC(=O)OCC(O)CO.CCCCCCCCCC(=O)OCC(O)CO T14862
CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccc(F)cc3)c2c1 T14863
CNC(=O)ON(C(C)=O)C(=O)NC T14864
NC(CO)(CO)CO.CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T14865
OC(=O)CCOCCOCCS(O)(=O)=O T14866
CCOP(=O)(CCOCCOCCOCCOCCC(O)=O)OCC T14867
OC(=O)CCOCCOCCOCCOCCP(O)(O)=O T14868
OC(=O)CCOCCOCCOCCOCCS(O)(=O)=O T14869
[Na+].CC(C)n1c(\C=C\C(O)CC(O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 T1487
OC(=O)CCOCCOCCOCCOCCOCCS(O)(=O)=O T14870
NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N T14872
Cc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl T14878
Cl.CNNCc1ccc(cc1)C(=O)NC(C)C T1488
Nc1ccc(\C=C\c2cccc(n2)C(O)=O)cc1 T14880
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(N)=O T14881
CCOC(=O)c1sc(NC(=O)c2ccco2)c(SC#N)c1C T14884
CC1=C(COCCC(C)(C)C)C(=O)N(Nc2ccc(c(Cl)n2)C(F)(F)F)C1=O T14885
OC(=O)CCOCCOCCNC(=O)OCc1ccccc1 T14887
OC(=O)CCOCCOCCOCCNC(=O)OCc1ccccc1 T14888
OC(=O)CCOCCOCCOCCOCCNC(=O)OCc1ccccc1 T14889
CNNCc1ccc(cc1)C(=O)NC(C)C T1488L
OC(=O)CCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1 T14890
OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1 T14891
Cc1ccc(NC(=O)NCc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)cc1Cl T14893
COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1 T14894
O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 T14895
COCC(=O)N[C@@H](Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)[C@H](O)[C@@H](O)C(O)=O T14896
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2\C=C(/C#N)c2nc3ccccc3s2)c1 T14897
Cc1cccn2c1nc(Oc1ccc(F)cc1)c(\C=C(/C#N)c1nc3ccccc3s1)c2=O T14898
CS(=O)(=O)c1cc(ccn1)C1(CC1)NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1 T14899
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C T1490
CC(=O)C1=C(O)C(=O)N([C@@H]1C1CCCCC1)c1ccc(Cl)cc1F T14900
Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1 T14901
[O-][N+](=O)c1cccc2cc([nH]c12)C(=O)NCCc1ccccc1 T14903
N#CC1=NC=C(NC2=NC=C(C3=CN(C)N=C3)C(OC)=C2)N=C1O[C@H](C)CN(C)C T14904
Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 T14907
Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1 T14909
[H][C@@]1(CC[C@@]([H])(CC1)c1ccc(Cl)cc1)C1=C(O)C(=O)c2ccccc2C1=O T1491
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 T14910
COCCOCOc1cc2ccc(cc2cc1C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)-c1ccc(cc1)C(O)=O T14911
Cc1cc2c(cc1-c1cc(\C=C/C(O)=O)ccc1O)C(C)(C)CCC2(C)C T14912
COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 T14913
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)n(n1)C(=S)Nc1c(F)cccc1F T14914
CCc1cnn2c(Nc3cccc(NC(=O)C=C)c3)cc(nc12)N1CCCC[C@H]1CCO T14915
NS(=O)(=O)c1ccc(Nc2nc(-c3cccc(c3)-c3ccccc3)c3nc[nH]c3n2)cc1 T14916
COCCNC(=O)c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1 T14917
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 T14918
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F T14919
CS(O)(=O)=O.CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T1492
COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O T14920
CCc1cc(cc(C)c1OC[C@@H](O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCCC1 T14924
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(N3CCN(C)CC3)c(C)c2)ncc1F)C(N)=O T14925
O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O T14929
CC(C)C(N1C(=S)SC(=Cc2ccc(Br)cc2)C1=O)C(O)=O T1493
CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 T14930
COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C T14931
CCCCCCCCCCCCCCCCNc1ccc(cc1)C(O)=O T14933
CN(C)CCCNC(=O)C(\COc1cccc2ccccc12)=C\CCCCC(=O)NO T14936
CCCCP(O)(=O)CCCN T14938
CCNC(=O)c1nc(CN(C)C)n(n1)-c1ccc(Cl)cc1C(=O)c1ccccc1Cl T14940
Clc1ccc2NC(=O)CSC(c3ccccc3Cl)c2c1 T14941
CCCCc1nc(CCCC)c(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=O)[nH]1 T14942
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1 T14943
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 T14944
CCCCCn1cnc2cccc3nc-4c(Cn5c-4cc4c(COC(=O)[C@]4(O)CC)c5=O)c1c23 T14945
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c1ccc(cc1)C(O)=O T14946
ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F T14947
Nc1cc(Cl)cc(C(O)=O)c1Cl T14949
O.N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 T1495
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)CCl T14952
Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(Cl)cccc2n1 T14953
COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl T14954
ClCCC1NC(=O)c2ccccc2O1 T14955
OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)[C@H](O)[C@@H](O)[C@@H]1O T14957
C[N+](C)(C)CCO.Cn1c2nc[n-]c2c(=O)n(C)c1=O T14958
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1 T14959
COc1ccc2OC[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 T14960
c1ccc2c(c1)ccc1c3ccccc3ccc21 T14961
Nc1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1cccnc1)C3=O)c1ccccc1 T14962
CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C T14963
Cl.Nc1[nH]c2c([nH]c(N)nc2=O)c1Cc1ccsc1 T14964
Clc1ccc(C(=O)C(\C#N)=C2/NC(=O)c3ccc(Cl)cc3N2)c(Cl)c1 T14965
[Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 T14966
Cc1ccc(o1)S(=O)(=O)NO T14967
Cl.CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 T14968
CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(CC)CC)c2c1 T14969
COc1cccc(n1)N(C)C(=S)Oc1ccc2CCCCc2c1 T1497
CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1 T14970
COc1ccc(OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)c2cccc(Cl)c2)cc1 T14971
Cl.C(Oc1ccccc1C1CC1)C1=NCCN1 T14972
Clc1ccc(cc1)-c1nc2sccn2c1\C=N\OCc1ccc(Cl)c(Cl)c1 T14973
NC(=O)C1c2ccccc2C=Cc2ccccc12 T14974
C[C@H](NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O T14975
O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1 T14978
[Li+].[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)\C(O2)=C\CO T14979
CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O T1498
CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccncc1 T14980
C[C@@]1(C2)[C@](C(CCl)=O)(OC(CCC)=O)[C@@H](C)C[C@@]1([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3(F)C2=O)=O T14981
Cc1ncsc1CCCl T14983
Oc1cc(F)ccc1\C=C1/SC(=NC1=O)N1CCCCN1 T14984
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COc2ccc(F)cc2)O1 T14986
Oc1ccc(NC(=O)CCCc2ccc(cc2)-c2ccccc2F)cc1 T14988
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 T14989
CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO T14990
Oc1ccc(cc1O)-c1cc(OC2CCCC2)c2ccccc2n1 T14991
O=C([C@H]1N[C@@H](C2=CC=C(OCC3=CC=CC=C3F)C=C2)CC1)N.[H]Cl T14992
Oc1ccc(cc1)-c1cn2c(nc(Cc3ccccc3)c2=O)c(Cc2ccccc2)[nH]1 T14994
[H+].CN(CC([O-])=O)C1=S[Mn+]([SH-]1)(C#[O])(C#[O])(C#[O])C#[O] T14999
Cl.Cc1cccc(C)c1NC1=NCCCS1 T1500
COc1cc2C3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O T15001
O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O T15002
CCCCCNC(=N)Nc1nc(cs1)-c1cnc(C)[nH]1 T15005
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C T15008
c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1 T15010
O=C(O)CN(C(N[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)=N)C T15011
COc1cc(cc(Br)c1OC)[C@H]1C(C#N)=C(N)Oc2c(N)c(N)ccc12 T15012
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc3CCOc23)cc1 T15013
ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 T15015
Nc1ccc2c(C#N)c3ccc(N)cc3nc2c1 T15016
CNc1ccc(cc1-n1cnc(c1)-c1ccc(cc1)C(F)(F)F)[N+]([O-])=O T15017
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N T1502
CCCCCCOC(=O)c1cc(O)c(=O)c2c(O)c(O)c(OC)cc2c1 T15020
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(OCc3cccc(c3)C(O)=O)ccc2c1=O T15022
Fc1ccc2c(Oc3cc(OCC(F)(F)F)ccc3S2(=O)=O)c1 T15023
[Na+].[O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 T15024
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N T15026
[H][C@@]12Cc3cccc4[nH]cc(c34)[C@]1([H])[C@]1([H])N(C(=O)C(C(C)=O)=C1O)C2(C)C T15027
OCC(/C1=C/N2C3=C(C(N=C(N)N3)=O)N=C2)(C1)CO.[(Z)] T15028
Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)N1CCOCC1 T15029
Cl.COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 T1503
OC(=O)[C@H]1CSC(=N1)c1nc2cc3CCNc3cc2s1 T15030
FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 T15031
COCC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1C T15032
CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1 T15033
Fc1ccc(cc1)C(=O)CN1CCC(CN2Cc3ccccc3C2=O)CC1 T15034
NCCSSCCN T15035
OC(=O)C(F)(F)F.N[C@@H](CS)C(=O)NCC(O)=O T15036
C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]22OC(=O)O\C=C\[C@@](C)(O)C(=O)[C@@H](C)C\C=C\[C@H]2[C@@H]2O[C@]12C T15039
C(O)CCN1c2c(cc(C[C@H](NCCOc3c(cccc3)OCC(F)(F)F)C)cc2CC1)C(=O)N T1504
COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)cc1 T15042
FC(F)(F)COc1ccc(cc1)-n1c(OCC(F)(F)C(F)(F)F)nc2NC(=O)Cc2c1=O T15043
[K]SC(=S)OC1CC2CC1C1CCCC21 T15044
CCOC(=O)CCN(C(=O)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1)c1ccccn1 T15046
CC(=O)N[C@@H](CSC(C)=O)C(O)=O T15047
[H][C@]12CCc3cc(ccc3[C@]1(Cc1ccccc1)CC[C@@](O)(C2)C(F)(F)F)C(=O)Nc1cccnc1C T15048
O=C(CC1=CC=C(C=C1)CCNS(=O)(C2=CC=C(C=C2)Cl)=O)O T15049
O.N12C(=C(C[C@@H]1[C@H](C2=O)[C@@H](C)O)SCCNC=N)C(=O)O T1505
Cn1cc(c(n1)C(F)F)S(=O)(=O)[C@@](C)(F)C1CCN(CC1)C(=O)Nc1ccon1 T15050
CN(C)c1cccc2c(cccc12)S(N)(=O)=O T15051
CS(=O)(=O)CCC#N T15052
CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OCC T15053
Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F T15055
N[C@@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 T15056
OC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T15057
NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T15058
OC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T15059
n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)CO T1506
O=C(CCN1C(=O)C=CC1=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T15060
O=C(CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)ON1C(=O)CCC1=O T15066
O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)ON1C(=O)CCC1=O T15067
CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O T1507
CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N T15079
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 T1508
OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12 T15080
CC1(C)C2=C(Cl)C(=O)C(Cl)=CC2=Nc2ccc(O)cc12 T15082
COc1ccc(C[C@H]2NC[C@H](O)[C@H]2O)cc1 T15087
CN(C)c1cc2OCOc2cc1Sc1nc2c(N)nccc2n1CCNCC(C)(C)C T15088
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO T15089
Cl.CN(C)CCC=C1c2ccccc2C=Cc2ccccc12 T1509
Nc1ccc(cn1)C#Cc1cnn2c(cc(nc12)-c1ccc(cc1)C(F)(F)F)C(F)(F)F T15090
Nc1ncnc2n(cnc12)[C@]1(CO)OC(=C)[C@@H](O)[C@H]1O T15091
O=c1cc(CSc2nc3ccccc3o2)[nH]c(=S)[nH]1 T15093
COc1cc(O)c2C(=O)O[C@@]3(C)C=C(O)C(=O)C=C3c2c1 T15094
[H][C@@]12CC(C[C@H]3NCCc4cc(OC)c(OC)cc34)=C(CC)CN1CCc1cc(OC)c(OC)cc21 T15095
C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 T15096
[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]21CO1 T15097
CNC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 T15100
CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 T15101
O=C1CC[C@@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 T15104
[H][C@](CCC(O)=O)(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(CCCCC)CCCOC T15105
CN1C(C)=N\C(=C/c2cc(F)c(O)c(F)c2)C1=O T15106
CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1ccc(F)cc1F T15107
CCc1ccc(s1)C1Nc2ccc(F)cc2C(=O)N1Cc1ccc(F)cc1 T15110
[H][C@]12O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@](C)([C@]33CO3)[C@@]1(COC(C)=O)CCC(C)=C2 T15111
[H][C@]1(CC[N@](CC2)C3)[C@]32CC4=NC=CC=C4O1.[2HCl] T15112
CC(C)=CCC\C(C)=C\CC\C(C)=C\CN1c2cc(O)cc(O)c2Nc2c(O)cccc2C1=O T15113
OC(=O)c1ccccc1Nc1cc(Cl)cc(Cl)c1 T15116
NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 T15117
CCOP(=O)(CCOCCOCCOCCOCCOCCP(O)(O)=O)OCC T15119
OC(=O)c1ccccc1.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 T1512
CCOP(=O)(CCCCCCCCCCBr)OCC T15120
CCOP(=O)(CCCCCCCCCCCCBr)OCC T15121
CCOP(=O)(CCCCCCCBr)OCC T15122
CCOP(=O)(CCCCCCCCBr)OCC T15123
CCOC(=O)c1cnc(s1)-c1ccc(cn1)C(=O)OCC T15124
OCCOCCOCc1ccccc1 T15125
FC(F)S(=O)(=O)Nc1cccc(c1)C(=O)c1ccccc1 T15126
Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 T15128
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O T1513
CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1 T15131
CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc12 T15132
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc12 T15132L
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T15133
Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1 T15134
CC1(CCCNC(=O)NCCCC[C@H](N)C(O)=O)N=N1 T15136
N[C@H](C(O)=O)CCCCNC(NCCCC1(N=N1)C)=O.Cl T15136L
FC(F)(F)c1nc2cc(Cl)cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c2[nH]1 T15137
NC(CC1=CC=C(O)C(O)=C1)C(O)=O T15138
[C@@H]12[C@@]([C@@](CC2)(C#C)O)(CC[C@H]2[C@H]1CCC1=CC(=O)CC[C@H]21)C T1514
CC1CCc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T15142
Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3C(=O)c3ccccc23)ccn1 T15143
COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl T15145
OC(=O)c1cnc2c(cccc2c1O)[N+]([O-])=O T15146
CCN(CC)c1ccc(cc1[N+]([O-])=O)C1=NNC(=O)CC1C T15147
OC(=O)CCOCCOCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T15148
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T15149
Brc1ccc(cc1)C1C(=O)c2ccccc2C1=O T1515
[O-][N+](=O)c1ccc(NCCOCCOCCOCCN=[N+]=[N-])c(c1)[N+]([O-])=O T15150
OC(=O)CCOCCOCCOCCOCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T15152
OCCOCCOCCOCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T15153
CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O T15155
CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T15157
CC(C)C[C@H](N1CC(Oc2ccccc2Cl)=CC1=O)C(=O)Nc1ccn(C[C@@H](O)CO)n1 T15159
COc1cc(ccc1O)\C=C\C(=O)CC(=O)\C=C\c1ccc(O)c(OC)c1 T1516
Oc1c(Cl)cc(cc1Cl)C(=O)N1CS(=O)(=O)c2ccccc12 T15160
CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1 T15162
Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1 T15164
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C T15165
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3C(OCCO)n1c2=O T15168
CCNC(=O)NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T15169
Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O T1517
COC(=O)Nc1cc(cc2[nH]ncc12)-c1c(C)[nH]nc1C1CC1 T15170
O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T15171
Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F T15173
C[C@H](NCc1nc2ccc(Oc3cc(F)c(F)c(F)c3)nc2n1C1CCC1)C(N)=O T15174
O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T15175
O=C(CCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T15176
NC(CO)C(NNCC1=CC=C(O)C(O)=C1O)=O T1517L
CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 T15181
CC(C)c1sc(C)nc1-c1ccc(OCCCCCOc2ccc(cc2)C(=N)NO)cc1 T15182
CCOC(=O)c1sc(Nc2ccc(F)cc2F)nc1-c1ccc(cc1)N(CC)CC T15183
COc1cc(\C=C2/CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 T15184
CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12 T15185
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 T15186
CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(c1CC)-c1ccccc1 T15187
C[C@@H]1N=C(c2c3CCN(Cc3sc2-n2c(C)nnc12)C(=O)C1CC1)c1ccccc1Cl T15188
[N-]=[N+]=NCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T15189
N#CC1=CC=C(OC2=CC=C(/C=C(SC(N3)=O)/C3=O)C=C2OC)C(C(F)(F)F)=C1 T15191
COCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(cs1)-c1ccccc1 T15192
NC(=N)Nc1nc(CSCCN\C=N\S(=O)(=O)c2ccc(Br)cc2)cs1 T15195
CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O T15196
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCNC(=O)c1ccccc1O T15198
CC1(C)CCC(=CC1)c1nc(ccc1NC(=O)c1ncc([nH]1)C#N)C1CC(C)(C)OC(C)(C)C1 T15199
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 T1519L
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 T15201
[O-][N+](=O)c1nccn1CC(=O)NCC(F)(F)C(F)(F)F T15202
O=C(CCC(=O)ON1C(=O)CCC1=O)OCCOC(=O)CCC(=O)ON1C(=O)CCC1=O T15203
COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1 T15204
COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C)-c1csc(c1)C#N T15205
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C T15206
Cl.FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1 T15207
CCC1(c2c(COC1=O)c(=O)n1Cc3c(c1c2)nc1ccc(cc1c3)O)O T1521
CCN(CC)CC(OC(=O)c1ccccc1)c1ccccc1 T15211
SCCNC(=O)c1cccc(c1)C(=O)NCCS T15213
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1 T15214
CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 T15215
Cc1cc(O)cc(C)c1C=C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O T15216
CC1=C(CN(CC1)C(=O)C=C)c1ccco1 T15217
OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F T15218
OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12 T15219
CCCCOC(=O)C(=C)C#N T15220
[H][C@@]12CCC#CCC[C@]1([H])[C@H]2COC(=O)NCCOCCOCCC(O)=O T15221
OCCOCCOCCNC(=O)OCC1C2CCC#CCCC12 T15222
OC(=O)CCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12 T15224
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12 T15225
OC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12 T15226
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12 T15227
CC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C T15232
FC(F)(F)c1cc(NC(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc(c1)C(F)(F)F T15233
[H][C@@]12CC=C[C@@]1(C)CC[C@]1([H])c3cc(OC)c(cc3CC[C@@]21[H])C(N)=O T15234
Clc1ccc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc23)cc1 T15236
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CO)c(F)c1 T15237
[H][C@@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@H]1C\C(O2)=C\CCCC(=O)O[Na] T15238
[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)C(O)=O T15239
O=C(Nc1ccccc1Cc1ccccc1)c1cc(=O)[nH]c2ccccc12 T15241
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T15242
Cc1c(cn(CCO)c1-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O T15246
Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)cc1C T15247
[H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] T15248
Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 T15249
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 T15250
CCN(CC)S(=O)(=O)c1ccc(cc1)C(O)=O T15251
CC(=O)Nc1ccc(OCCOC(=O)c2ccccc2OC(C)=O)cc1 T15252
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(-c2ncc[nH]2)c2cccnc12 T15253
CCOC(=O)CC(C)=O T15254
CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T15255
Cn1c2ncn(CCOC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2c(=O)n(C)c1=O T15256
COC(=O)c1cccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1 T15257
[H][C@@]12CCC3=C(CC[C@@]4(C)[C@@H](CC[C@]34C)[C@@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T15258
CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1 T15259
CSCC1CN(\N=C\c2ccc(o2)[N+]([O-])=O)C(=O)O1 T1526
CCCCOc1cccc(CCNCC(=O)N(C)C)c1 T15260
C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 T15261
Cl.Cc1cccc(n1)-c1nc(CNc2ccccc2F)[nH]c1-c1ccc2ncnn2c1 T15262
NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 T15263
Cn1nc(CC(=O)Nc2cc(ccc2O)S(=O)(=O)Nc2cccc(Cl)c2)c2ccccc2c1=O T15265
[I-].C[n+]1ccc(\C=C\c2c[nH]c3ccccc23)cc1 T15266
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2Cl)cc1 T15267
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O T15268
Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1 T1527
Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 T15270
Cc1n[nH]c(n1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1 T15271
COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC T15272
[H][C@]1(CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C T15273
On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O T15274
CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 T15275
c1(Cl)cc2nccc(NC[C-]34[CH]5=[CH]6[Fe++]3535789%10[CH-]%11[CH]3=[CH]5[CH]7=[CH]8%11)c2cc1.C(N(C)C)[C]49=[CH]6%10 T15276
Cn1c2nncnc2c(=O)n(C)c1=O T15277
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1 T15278
NN1C(=O)c2ccccc2C11c2ccc(O)cc2Oc2cc(OCCOCCOCCO)ccc12 T15279
Cl.CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC1CN2CCC1CC2 T1528
Nc1nc(=O)n(cc1I)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F T15280
NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 T15281
CC[C@@H](Oc1ccc(cc1)C(=O)C1CC1)c1nc(no1)-c1ccc(C(=O)N[C@H](C)CO)c(F)c1 T15283
Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(ccc23)N=C=S)c1 T15284
COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(ccc12)C(F)(F)F T15286
CN1Cc2c(ncn2-c2ccc(F)cc2C1=O)C(O)=O T15287
[C@H]1([C@H]([C@@H]([C@H](CN1CCO)O)O)O)CO T1529
Cc1ccc(=O)n(c1)-c1cccc(F)c1 T15300
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 T15301
CNC(=O)N1CC(C1)Oc1cccc(c1)C(F)(F)F T15302
FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 T15303
OC(=O)COCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15304
OC(=O)COCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15305
CN(CCOCCOCCOCCC(O)=O)C(=O)OCC1c2ccccc2-c2ccccc12 T15309
OC(=O)CCSSCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15311
OC(=O)CCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15313
OC(=O)COCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15314
OC(=O)CCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15315
OC(=O)CCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15316
OC(=O)CCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15317
OC(=O)COCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T15318
OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 T1532
O=C(CCOCCNC(=O)OCC1c2ccccc2-c2ccccc12)ON1C(=O)CCC1=O T15327
O=C(CCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12)ON1C(=O)CCC1=O T15328
Cl.CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c1[nH]c(N)nc2=O T1533
CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1 T15335
OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O T15337
CC(C)c1cc(C(C)C)c(-c2csc(n2)N(CCN(C)C)Cc2cccnc2)c(c1)C(C)C T15338
C[C@@](Cc1ccc(OP(O)(O)=O)c(O)c1)(NN)C(O)=O T15339
CCCc1c2nc(cc(NC)c2cc2c1oc(cc2=O)C(O)=O)C(O)=O T15344
CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)nn1-c1ccccc1 T15345
COc1cc2ccc(=O)oc2c(O)c1OC T15349
[Na+].[O-]C(=O)CCCc1ccccc1 T1535
N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O T15350
Cc1nc(Cc2cc(F)cc(c2)C(F)(F)F)nn1-c1ccc(C(N)=O)c(C)c1 T15352
COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C T15353
OC[C@](CCC1=CC=C(CCCCCCCC)C=C1)(N)COP(O)(O)=O T15354
[H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@]([H])(C=C(C)C)N1C2=O T15355
FC(F)(F)c1ccc(CN2C(=O)[C@@]3(COc4cc5OCOc5cc34)c3ccccc23)o1 T15358
O=c1c(Cc2ccco2)nc2c(Cc3ccccc3)[nH]c(cn12)-c1ccccc1 T15359
CCCOc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)OC T1536
OC(=O)CCC(=O)c1ccc2oc3ccccc3c2c1 T15360
S=P1(Nc2ccccc2O1)c1ccccc1 T15361
CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12 T15362
OC(=O)c1cc(O)cc(NC(=O)Nc2ccc3ccccc3c2)c1 T15363
CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5 T15364
CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1 T15366
N[C@H](CCC(=O)NCC(O)=O)C(O)=O T15369
CC(O)=O.O=C(O)CNC(CC[C@H](C(O)=O)N)=O T15369L
c1cc(ccn1)-c1sc(c(c1-c1ccncc1)-c1ccncc1)-c1ccncc1 T15370
CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O T15371
[Cl-].CCc1n(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccccc2[n+]1C T15373
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O T15375
Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)[C@H](F)CC1 T15376
Cl.Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 T15377
COP(=O)(CCC(N)C(O)=O)Oc1cccc(CC(O)=O)c1 T15379
NNC(=O)CN1c2ccc(Br)cc2C(=NCC1=O)c1ccccc1 T15380
[H][C@@]12CC[C@@](C)([C@@H](O)[C@H]1NC(=O)NS(=O)(=O)c1ccc(C)cc1)C2(C)C T15385
Cc1cc(no1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1 T15386
Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 T15387
C[C@@]1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1 T15388
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O T1539
OC[C@H]1O[C@@H](OP(=O)(NCCCl)NCCCl)[C@H](O)[C@@H](O)[C@@H]1O T15390
N.CP(O)(=O)CCC(N)C(O)=O T15391
CP(O)(=O)CCC(N)C(O)=O T15391L
NCCCOCCOCCOCCCNC(=O)CN T15392
OC(CO)COC(CCCCCCCCC)=O T15394
O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T15395
C1c2ccccc2-c2[nH]nc(Nc3ccc4OCCOc4c3)c12 T15396
OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 T15398
Cl.CN(C)CCC=C1c2ccccc2COc2ccccc12 T1540
CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1 T15400
Cn1cnc2c(cc(cc12)C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 T15401
FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1 T15403
OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12 T15404
COc1ccc(nc1N1CCC[C@H](N)C1)-n1ncc2cnc(cc12)-c1cncc(C)n1 T15406
FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(sc3n2)C(F)(F)F)n1 T15407
FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(Cl)ccc3n2)n1 T15408
CC1(C)N(CCn2c(Nc3ccc(Cl)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN T15409
C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 T1541
CC(C)n1cnc2c(NCCc3c[nH]c4ccccc34)nc(nc12)-c1cncc(C)c1 T15410
Cl.N[C@@H](CCC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(O)=O T15411
O=C(CCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1 T15412
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(OC(F)(F)F)ccc1Cl T15413
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 T15414
COC1(CS(=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 T15415
Cc1cccc(NN=C(C(=O)c2cccs2)C(=O)C(F)(F)F)c1 T15416
COc1ccc(CO)c2nc3cccc(C(O)=O)c3nc12 T15417
CCCn1c(=O)n(CC)c2=NC(N=c2c1=O)c1cnn(Cc2cccc(c2)C(F)(F)F)c1 T15418
Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 T15419
Cl.Cl.CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 T1542
Nc1nc(N)c(C#N)c(N[C@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 T15420
[NaH].OC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 T15421
Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 T15422
Oc1ccc(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c(c1)C(F)(F)F T15423
COC(=O)c1cccc(NC(=O)NC2CCN(C2)c2ccnc(Nc3ccc(F)cc3)n2)c1 T15424
O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cc2CCCCCc2s1 T15425
OC(=O)CCn1c2cc(Cl)c(Cl)cc2oc1=O T15426
Cl.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 T15428
O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3occc3c2)C1 T15429
Cl.CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12 T1543
CNc1nc(C)nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)n1 T15430
CC(C)N1CCN(Cc2cnc(o2)-c2cc(cc3[nH]ncc23)-c2cccc3[nH]ccc23)CC1 T15431
CCCCCn1c2nc(Cl)[nH]c2c(=O)[nH]c1=O T15432
CC(C)n1cc(-c2ccc3CCN(C)c3c2)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc12 T15433
CC(C)(O)c1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O T15434
Fc1cc(F)c2NC(=O)[C@H](CCc2c1)NC(=O)c1n[nH]c(Cc2ccccc2)n1 T15437
C[C@H]1CN(CCO1)c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)ncc12 T15438
OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(cc1C#N)C(F)(F)F T15439
[Na+].[Na+].Oc1ccc(cc1C([O-])=O)\N=N\c1ccc(O)c(c1)C([O-])=O T1544
CCCOc1ccn2c(cc(-c3cccc(OC)c3)c2c1)C(C)=O T15441
CC(C)(C)C(=O)N1N=CC[C@@H]1c1ccccc1 T15444
COc1ccccc1OC(=O)c1ccccc1OC(C)=O T15447
CCOc1ccc(cc1)-c1nn2ncccc2c1-c1ccc(cc1)S(C)(=O)=O T15449
CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1c1ccccc1Cl)C(=O)OC T1545
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 T15450
CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 T15452
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC T15454
C\C(CC(=O)OC(C)(C)C)=N/Nc1ccc(nn1)N1CCOCC1 T15455
Cl.CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3OCOc3cc2CC1C T15456
NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O T15457
CC(=O)Oc1cc2Oc3cc(OC(C)=O)c(Cl)cc3C(c2cc1Cl)c1ccccc1C(O)=O T15458
NCCOCCOCC(O)=O T15459
CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O T1546
Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O T15461
Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCCCl)OCCCl)ccc12 T15462
CN(CCCNC(=O)C1=CC2=C(C=C1)N=C3CCCCC3=C2Cl)CC4=CC=CC=C4 T15464
Cn1c2nc(Oc3cccc(Cl)c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O T15465
[H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@@H](O)[C@]1([H])C(=C)C(=O)O2 T15467
CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 T15468
OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O T15469
[C@@H](C(=O)OC)(CS)N.Cl T1547
O[C@H]1[C@@H](O)[C@H](CN[C@@H]1NC(=O)C(F)(F)F)C(O)=O T15470
NS(=O)(=O)OCCCCCCCOS(N)(=O)=O T15472
OCCOCCOCCOCCOCCOCCOCCO T15473
CS(=O)CCCCCCN=C=S T15474
COCCOCCOCCOCCOCCOCCO T15475
OCCOCCOCCOCCOCCOCCO T15476
Cl.CCCCCCOC(=O)CCC(=O)CN T15477
OP(O)(=O)CCCCCCP(O)(O)=O T15478
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1cccnc1 T15479
O.N[C@@H](CS)C(O)=O T1547L
COc1c2oc(=O)ccc2cc2c1occ2 T1548
O=C(Nc1ccn2c(c1)c(C#N)c1nc3ccccc3nc21)c1cccs1 T15481
O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F T15482
CCCC(C(O)=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 T15483
Cc1ccc(C)c(CSc2nc(C3CCCC3)c(C#N)c(=O)[nH]2)c1 T15485
CCOc1ccc(cc1C)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O T15486
CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O T15487
OCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T15494
CN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1ccc2[nH]c(nc2c1)-c1ccc(Cl)cc1 T15495
COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1 T15496
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccccc1 T15497
CC(C)(C)NCC(O)c1ccc(O)cc1Cl T15498
OC(=O)COCCOCCOCCOCCOCC(O)=O T15499
CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl T1550
NNc1nc2ccccc2nc1S T15500
CCOc1cc(ccc1OC)C(Nc1cc(C)ccn1)c1ccc2cccnc2c1O T15502
C(CN1CCC(CC1)OC(c1ccccc1)c1ccccc1)Cc1nnn[nH]1 T15503
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCS T15504
CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 T15505
COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1cccs1 T15506
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 T15507
CC(C)(C)OC(=O)CCOCCN(CCO)CCOCCC(=O)OC(C)(C)C T15508
OCCN(CCOCCOCC#C)CCOCCOCC#C T15509
OC(=O)\C=C/C(O)=O.CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12 T1551
OCCOCCC(O)=O T15510
COC(=O)CCOCCO T15511
CC(C)(C)OC(=O)CCOCCO T15512
CC(C)(C)OC(=O)COCCO T15513
OCCOCCOCCC(O)=O T15515
COC(=O)CCOCCOCCO T15516
OCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F T15517
OCCOCCOCCS(O)(=O)=O T15518
CC(C)(C)OC(=O)CCOCCOCCO T15519
Cl.COc1ccc(cc1OC)C(=O)NCc1ccc(OCCN(C)C)cc1 T1552
CC(C)(C)OC(=O)COCCOCCO T15520
OCCOCCOCC(O)=O T15521
OCCOCCOCC(=O)O[Na] T15521L
OCCOCCOCCOC(=O)C=C T15522
COC(=O)CCOCCOCCOCCO T15523
CC(C)(C)OC(=O)CCOCCOCCOCCO T15524
CC(C)(C)OC(=O)COCCOCCOCCO T15525
OCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F T15526
OCCOCCOCCOCCSSCCOCCOCCOCCO T15527
OCCOCCOCCOCCOCCC(O)=O T15528
CC(C)(C)OC(=O)CCOCCOCCOCCOCCO T15529
COc1ccc(cc1OC)C(=O)NCc1ccc(OCCN(C)C)cc1 T1552L
OC(=O)\C=C/C(O)=O.CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 T1553
CC(C)(C)OC(=O)COCCOCCOCCOCCO T15530
OCCOCCOCCOCCOCC(O)=O T15531
CNCCOCCOCCOCCO T15532
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCO T15533
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCO T15534
COC(=O)CCOCCOCCOCCOCCOCCO T15535
OCCOCCOCCOCCOCCOCCOCCC(O)=O T15536
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCO T15537
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCO T15538
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCO T15539
[H][C@@]12C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@H]1O2 T15542
ICC(=O)NCCCCC#C T15543
CS(=O)CCCN=C=S T15544
Fc1ccc(cc1F)C(=O)Nc1ccc(Cl)nc1 T15545
N(c1nc(cs1)-c1ccccn1)c1ccccn1 T15546
CCC(OC)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1 T15548
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CC)C(O)=O T15549
[Na+].[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl T1555
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 T15550
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 T15551
CN1CCCC[C@H]1CCc1ccccc1NC(=O)\C=C\c1ccccc1 T15552
CC(C)(C)NC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 T15554
N=C(Nc1ccc(OCCCCCOc2ccc(NC(=N)c3ccccc3)cc2)cc1)c1ccccc1 T15555
[H][C@]12C[C@@H](C)[C@@H](CC)[C@]1([H])C=C[C@]1([H])[C@H]3C\C=C/C(=O)NCCC[C@@H]4NC(=O)C(=C4O)C(=O)\C=C\[C@@H]3C[C@]21[H] T15556
COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC T15558
N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 T15559
Cc1ncc(n1CC(O)CCl)[N+]([O-])=O T1556
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O T15560
CC1(C)CN(C(=O)N1)c1ncc(C(=O)Nc2cccc(c2)C(F)(F)F)c(N)n1 T15561
COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(O)=O T15562
CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O T15563
Oc1ccc(Br)cc1C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F T15564
Br.Br.NC(=N)SCCc1cnc[nH]1 T15565
NC1=NC(=O)N2CC12 T15566
Cc1oc(nc1COc1ccc(CO\N=C(/CCC(O)=O)c2ccccc2)cc1)-c1ccccc1 T15567
Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1 T15568
COc1cc(ccc1O)C(O)CNC(C)CCn1cnc2ccccc12 T15569
CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O T15571
Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1 T15572
[H][C@@]12Cc3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C[C@]1([H])C2 T15574
COc1ccc(cc1)S(=O)(=O)n1cc(CCC(O)=O)c2cc(OC)ccc12 T15575
Clc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc23)cc1 T15576
CCC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O T15577
COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCN3CCOCC3)c(=O)c2cc1OC T15578
CCN1\C(Sc2ccc(O)cc12)=C\C(C)=O T15579
Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 T1558
Oc1ccc(cc1)N1C(=O)\C(=C/c2ccc(Cl)cc2)C=C1c1ccccc1 T15582
O=C(O)C[C@@H](C1=CC(N2N=C(C)C=C2C)=CC=C1)CN3C[C@H](CCC(N4)=CC=C5C4=NCCC5)CC3.[x].Cl T15583
Cc1ccc(NC(=O)CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1 T15584
CN(C)CCCNc1ncc(C)c2[nH]c3ccc4cc(O)ccc4c3c12 T15586
Cc1cccc2c(nn(Cc3nnn(C)n3)c12)-c1cc(ccc1F)C(F)(F)F T15587
NC(NCC1=CC=CC(I)=C1)=N.O=S(O)(O)=O.NC(NCC2=CC=CC(I)=C2)=N T15588
NC(N)=NCc1cccc(I)c1 T15588L
ICCOCCOCCOCCN=[N+]=[N-] T15589
CC(C)C[C@H]1[C@H](OC(=O)N1CCCN1CCCCCC1)c1ccccc1 T15591
CC(C)n1c(cc2cccc(-c3ccc(=O)n(C)c3)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N T15592
COc1cc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O T15594
[H][C@@]12Cc3cc4OCOc4cc3[C@H](N1C(=O)CN(C)C2=O)c1c[nH]c2ccc(Cl)cc12 T15597
Cl.[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])C\C(CC[C@]12C)=N\OCCN T15599
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO T1560
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])C\C(CC[C@]12C)=N\OCCN T15600
COc1cc(OC)c2ccccc2c1C=C1C(=O)NC(=S)NC1=O T15601
Cc1cc(\C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1 T15602
Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(Cl)cc1 T15604
ONC(=O)CCCCCn1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)cn1 T15605
COCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccc(cc3)-c3ccccc3)c(=O)n1C2 T15608
[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T1561
Oc1ccc(CCNc2ccc(NCCc3ccc(O)cc3)c3C(=O)c4ccccc4C(=O)c23)cc1 T15610
CC(C)CC(=O)c1c(Nc2ccc(Cl)cc2Cl)[nH]c2c(Cl)ccc([N+]([O-])=O)c2c1=O T15611
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 T15612
CCOC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@@H](N)CC(C)C T15613
O=C(N1CCC(CC1)C(c1ccc2OCOc2c1)c1ccc2OCOc2c1)n1cncn1 T15614
COc1cc2Cc3c(Nc4cccc(F)c4)n[nH]c3-c2cc1OC T15616
FC(F)(c1nnc2ccc(nn12)-c1ccncc1)c1ccc2ncccc2c1 T15617
FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12 T15618
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccccc3)oc2C1 T15619
OC(=O)C(Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 T1562
C[C@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F T15622
OC1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 T15623
Nc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br T15624
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccc(O)cc1 T15626
COCCCN(C(=O)CCl)c1nc(cs1)-c1ccc(OC)cc1 T15628
CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(C)nc(C)c12 T15629
Oc1ccc(cc1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T1563
Cc1nc(C2CCCCC2)c(o1)-c1ccc(c(F)c1)S(N)(=O)=O T15630
FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)C(F)(F)F T15632
COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1 T15633
CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 T15634
CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1 T15635
[H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 T15636
[H][C@]12C[C@](O)(C(O)=O)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 T15637
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 T15638
COc1cc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2cc1OC T15639
N.N.Cl[Pt]Cl T1564
O[C@@H]1CCCC[C@H]1N(C1CC1)C(=O)NCCCOc1ccc2[nH]c(=O)ccc2c1 T15640
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@H](C)c3cccc(C)c3)[C@@]1([H])C(F)(F)\C(O2)=C\CCCc1nnn[nH]1 T15642
CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O T15643
[NaH].Cc1cc(NC(=O)CC(O)=O)cc(C)c1Oc1ccc(O)c(c1)C(O)c1ccc(F)cc1 T15644
CCOC(=O)Cn1cccc1-c1nc(c(s1)-c1ccc(OC)cc1)-c1ccc(OC)cc1 T15645
Fc1ccc(cc1)C1COc2ccccc2C1=O T15646
CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 T15648
CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C T15649
Cc1c(O)c(=O)ccn1C T1565
CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 T15650
CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(cn1)C#N T15651
C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O T15652
CCCC(=O)c1ccccc1OCCN(C(C)C)C(C)C T15653
[H][C@@]12CN(C[C@]1([H])[C@H]2CC(O)=O)c1cc(nc(n1)N1CC[C@@H]1C)C(F)(F)F T15654
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CCC(=O)C1 T15655
CCOC(=O)c1c(\C(=C/N)C#N)c2ccc(Cl)c(Cl)c2n1C T15657
CC(Sc1nc2ccccc2[nH]1)C(=O)N\N=C\c1cc(Br)ccc1O T15658
Cl.CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 T15659
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl T1566
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 T15660
CCOC(=O)c1sc(NC(=O)[C@H](C(C)C)n2c(=O)[nH]c3ccccc3c2=O)nc1C T15661
COc1ccc2sc(NC(c3ccc(OC(F)F)cc3)c3ccc4cccnc4c3O)nc2c1 T15662
CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(F)c3)c3ccccc23)c2c(N)nccn12 T15664
NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)[N+]([O-])=O)-c1ccco1 T15665
CCCCCCOc1cccc2cc(-c3nn[nH]n3)c(=O)oc12 T15666
Nc1cncc(c1)C(\NCCc1ccccc1Cl)=N/C#N T15667
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 T1567
[H][C@]12C[C@](OC)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CN(C)C(=O)c4c4c5ccccc5n2c4c13 T15670
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(C)=O)c(=O)oc3c2C)OC1(C)C T15671
CCC1(Cc2ccccc2O1)c1ncc[nH]1 T15672
[O-][N+](=O)c1ccc(cc1)-n1cccc1\C=C1/NC(=S)NC1=O T15677
C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1 T15678
O=C1C2=C(CC(C)(C)C1)OC3=CC=CC=C3C2C4C(CC(C)(C)CC4=O)=O T15679
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 T1568
OC(=O)[C@H]1C[C@H](NC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1 T15684
CC(Oc1ccc(O)cc1)(P(O)(O)=O)P(O)(O)=O T15685
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 T15686
CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F T15687
[H][C@@](O)(\C=C\[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1)C(F)(F)c1ccccc1 T15690
N[C@@H](CN(O)N=O)C(O)=O T15691
N[C@@H](CCP(O)(O)=O)C(O)=O T15692
N[C@@H](CCN=[N+]=[N-])C(O)=O T15693
N[C@@H](CCC#C)C(O)=O T15694
NCCCC[C@H](N)C(O)=O.OC(=O)CCCCC1CCSS1 T15695
CSCC[C@H](NC(=O)C(CS)Cc1ccccc1C)C(O)=O T15696
CC(O)=O.CNC(=N)NCCC[C@H](N)C(O)=O T15697
CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T15698
OC[C@H](O)[C@@H](O)[C@H](O)C=O T15700
Cl.C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O T15701
CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O T15702
C[C@@H](\C=C(/C)[C@@H]1OC(=O)\C=C\CC\C=C\C=C/[C@@H]1C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 T15703
Nc1nc(=O)c2ncn([C@H]3C[C@H](F)[C@@H](CO)O3)c2[nH]1 T15704
N[C@H](C1=CC=CC=C1)CC2=CC=CC=N2 T15706
[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO T15707
Clc1ccccc1C1CS\C(S1)=C(\C#N)n1ccnc1 T15708
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O T1571
O=S(C1=CC(F)=CC2=C1N(C3=C2CC[C@@H]3CC(O)=O)CC4=CC=C(Cl)C=C4)(C)=O T15712
Cn1cc(NS(C)(=O)=O)c(=O)c2ccccc12 T15714
Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 T15715
O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)CCc1ccccc1 T15718
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])C[C@H](O)CC[C@]12C T15720
[H][C@@]12C[C@]([H])(C[C@@](O)(O1)[C@@H]1CSC(=O)N1)OC(=O)\C=C(C)/CC\C=C\C=C/[C@@H](C)CC2 T15721
Cn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1 T15722
[H][C@@]12CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)[C@]1([H])CN(CCc1ccccc1)CC2 T15723
Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1 T15725
Cc1ccccc1CSc1ccc(nn1)-c1ccccn1 T15728
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1 T15729
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO T1573
Cl.CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 T15730
COC(=O)C1=C(C)NC(COC(N)=O)=C(C1c1cccc(Cl)c1Cl)C(=O)OC(C)C T15733
Cl.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OCc1oc(=O)oc1C T15734
CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 T15736
NC[C@@H](F)CP(O)=O T15737
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 T15738
Fc1ccc(cc1)C(C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O T15739
Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O T1574
O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 T15741
O=C1CCCC2=C1C=CC=C2OC[C@@H](O)CNC(C)(C)C.[H]Cl T15742
COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1 T15743
Cl.[H][C@@]1(CCCCN1)[C@H](OC(C)=O)c1ccccc1 T15744
[H][C@@]12CC[C@H]([C@@H](C)OCCCC(O)(CC)CC)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T15745
CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C T15748
FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F T15749
Cl.Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O T1574L
CNC(NCCSCc1csc(CN(C)C)n1)=C[N+]([O-])=O T1575
CCc1ccc(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T15752
COc1ccc(cc1OCCCN1CCC(CC1)C(=O)c1ccc(F)cc1)C1CNC(=O)C1 T15754
Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 T15755
OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 T15756
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O T15757
O=C1N(c2ccccc2C1(Cc1ccncc1)Cc1ccncc1)c1ccccc1 T15758
OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl T15759
CCN1CCN=C1CNC(=O)c1cc(Cl)c(N)cc1OC T15760
OCCOCCOCCNC(=O)CCCCC1CCSS1 T15762
OCCOCCOCCOCCNC(=O)CCCCC1CCSS1 T15763
OC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1CCSS1 T15764
[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCCCC1CCSS1 T15765
CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(oc2c1)C(=O)c1ccc(Cl)cc1Cl T15766
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 T15767
CCN(CC)CCOC(=O)Cc1cccc2c1oc(cc2=O)-c1ccccc1 T15768
CCCCCC(=C)[C@@H](O)[C@H](C)C(=O)N1[C@H](COC1=O)C(C)C T15769
Cl.COc1cc(C(O)CNC(=O)CN)c(OC)cc1 T1577
Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(c3)C#C)c2c1 T15770
CC1[O-][Pt+2]2([NH2]CC3C(CC3)C[NH2]2)[O-]C1=O T15771
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1 T15773
CC(Oc1cccc(C(=O)c2ccc(Cl)cc2)c1C)C(O)=O T15774
CC(=O)c1ccc(C)cc1NC(C(N)=O)c1c(Cl)cccc1Cl T15776
Nc1nc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)n(CC=C)c2c(=O)[nH]1 T15777
Cl.CN(CC#C)Cc1ccccc1 T1578
CN(CCNc1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1)C(=O)OC(C)(C)C T15780
COc1ncccc1-c1cnn2ccc(nc12)N1CCN(CC1)C(=O)OC(C)C T15781
CN1CCCn2c1cc(OCc1cc(F)c(Oc3ccc(nc3)C(F)(F)F)c(F)c1)nc2=O T15782
CCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC T15783
C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 T15785
Nc1nc(Cl)cc(n1)N(Cc1cccs1)C1CC1 T15787
CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 T15788
O=c1nc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 T15789
COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1 T1579
O=S(C1=C(N)C2=CC(S(=O)([O-])=O)=CC(C(N(NC(NN)=O)C3=O)=O)=C2C3=C1)([O-])=O.[Li+].[Li+] T15790
Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCCC2)cc1Cl T15791
Nc1cccc2c1c(=O)[nH][nH]c2=O T15792
CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 T15795
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 T15798
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1CO T15799
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 T1580
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCC2)cc1 T15800
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 T15802
CC(C)OC(=O)N[C@@H]1Cc2c(C1)c1cc(ccc1n2Cc1ccccn1)C#N T15804
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1cccc(OC)c1)C(O)=O T15807
[H][C@@]12[C@@H](C[C@@](N)(C(O)=O)[C@]1([H])[C@@]2([H])C(O)=O)Sc1nnc[nH]1 T15809
NCc1cccnc1 T1581
COc1cccc2CCCN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)s3)c12 T15810
N.O.C[C@H](N)C(=O)N[C@]1(C[C@@H](Sc2ncn[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O T15812
Nc1nc2NC[C@H](CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 T15813
C[C@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1 T15814
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O T15815
N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O T15816
[H][C@@]12CC[C@@](N)(C(O)=O)[C@]1([H])[C@H]2C(O)=O T15817
Cc1cc(ccc1[C@H](N)C(O)=O)C(O)=O T15818
c12c(cc(cc2)OC)ccc(c1)[C@@H](C(=O)O)C T1582
CC(C)S(=O)(=O)NC[C@H](C)c1ccc(cc1)-c1ccc(CCNS(C)(=O)=O)cc1 T15820
Cc1ccc(Cn2[nH]c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nc2=O)cc1 T15821
CCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1 T15822
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](CO)CN2C)c34 T15824
CC(C)(C)c1cc(\C=C2\SCNC2=O)cc(c1O)C(C)(C)C T15825
Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 T15826
Nc1nc(=O)c2N3C(CN(C3=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 T15827
OC(=O)C[C@@H]1CCn2c1c(Sc1ccc(Cl)cc1)c1ccc(F)cc21 T15828
OC(=O)CC1CCn2c1c(Sc1ccc(Cl)cc1)c1ccc(F)cc21 T15829
[Na+].COc1ccc2cc(ccc2c1)C(C)C([O-])=O T1582L
ONC(=O)CCCCCCC(=O)Nc1ccccc1 T1583
CC\C(=N/NC(=O)c1ccnc(NCCCN2CCOCC2)c1)c1ccc(Cl)cc1O T15830
COCCOCCO.[n].[MW T15832
COCCC(=O)ON1C(=O)CCC1=O T15833
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO T15834
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN T15835
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T15836
COCCOCCOC(=O)Oc1ccc(cc1)[N+]([O-])=O T15840
COCCOCCC(O)=O T15841
COCCOCCN T15842
COCCOCCON T15843
COCCOCCN=[N+]=[N-] T15844
COCCOCCOCCC(O)=O T15845
COCCOCCOS(C)(=O)=O T15846
COCCOCCP(O)(O)=O T15847
COCCOCCOS(=O)(=O)c1ccc(C)cc1 T15848
COCCOCCOCCOc1ccc(C=O)cc1 T15849
COCCOCCOCCC=O T15850
COCCOCCOCCN T15851
COCCOCCOCCON T15852
COCCOCCOCCN=[N+]=[N-] T15853
COCCOCCOCCC(=O)OC(C)(C)C T15854
COCCOCCOCCOCCCO T15855
COCCOCCOCCCO T15856
COCCOCCOCCOCCC(O)=O T15857
COCCOCCOCCOCC(O)=O T15858
COCCOCCOCCC(=O)ON1C(=O)CCC1=O T15859
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O T1586
COCCOCCOCCO T15860
COCCOCCOCCOS(C)(=O)=O T15861
COCCOCCOCCONC(=O)OC(C)(C)C T15862
COCCOCCOCCC(Cl)=O T15863
COCCOCCOCCSC(C)=O T15864
COCCOCCOCCOC(=O)ON1C(=O)CCC1=O T15865
COCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T15866
COCCOCCOCCOCCC=O T15867
COCCOCCOCCOCCN T15868
COCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O T15869
C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O T1587
COCCOCCOCCOCCN=[N+]=[N-] T15870
COCCOCCOCCOCCC(=O)OC(C)(C)C T15871
COCCOCCOCCOCCBr T15872
CCOP(=O)(CCCCCCCCOCCOCCOCCOC)OCC T15873
COCCOCCOCCOCCCCCCCCP(O)(O)=O T15874
COCCOCCOCCOCCCC(O)=O T15875
COCCOCCOCCOCCOCC=O T15876
COCCOCCOCCOCCCC(=O)OC T15877
COCCOCCOCCOCCOCC(O)=O T15878
COCCOCCOCCOCCC(=O)NN T15879
OC12CC3CC(C1)C(=O)C(C3)C2 T1588
COCCOCCOCCOCCOS(C)(=O)=O T15880
COCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T15881
COCCOCCOCCOCCOC(=O)ON1C(=O)CCC1=O T15882
CCOP(=O)(CCOCCOCCOCCOC)OCC T15883
COCCOCCOCCOCCOCC#C T15884
COCCOCCOCCOCCS(O)(=O)=O T15885
COCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T15886
COCCOCCOCCOCCOCCOC(=O)C(C)=C T15887
COCCOCCOCCOCCOCCC(O)=O T15888
COCCOCCOCCOCCOCCN=[N+]=[N-] T15889
N[C@@H]1CONC1=O T1589
COCCOCCOCCOCCOCCC(=O)OC(C)(C)C T15890
COCCOCCOCCOCCOCCBr T15891
COCCOCCOCCOCCOCCOCCC(O)=O T15892
COCCOCCOCCOCCOCCOCC(O)=O T15893
COCCOCCOCCOCCOCCOS(C)(=O)=O T15894
COCCOCCOCCOCCOCCN T15895
COCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T15896
COCCOCCOCCOCCOCCC#N T15897
CCOP(=O)(CCOCCOCCOCCOCCOC)OCC T15898
COCCOCCOCCOCCOCCP(O)(O)=O T15899
N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N T1590
COCCOCCOCCOCCOCCS T15900
COCCOCCOCCOCCOCCOC(=O)ON1C(=O)CCC1=O T15901
COCCOCCOCCOCCOCCS(O)(=O)=O T15902
COCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T15903
COCCOCCOCCOCCOCCOCCOC(=O)C(C)=C T15904
COCCOCCOCCOCCOCCOCCN T15905
COCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O T15906
COCCOCCOCCOCCOCCOCCN=[N+]=[N-] T15907
COCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C T15908
COCCOCCOCCOCCOCCOCCBr T15909
Cl.OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O T1591
COCCOCCOCCOCCOCCOCCOCCCO T15911
COCCOCCOCCOCCOCCOCCCCCCCCP(O)(O)=O T15912
COCCOCCOCCOCCOCCOCCOCCC=O T15913
COCCOCCOCCOCCOCCOCCOCCC(O)=O T15914
COCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T15915
COCCOCCOCCOCCOCCOCCOCC(O)=O T15916
COCCOCCOCCOCCOCCOCCS T15917
COCCOCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T15918
COCCOCCOCCOCCOCCOCCOC(=O)Oc1ccc(cc1)[N+]([O-])=O T15919
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 T1591L
CC(=O)NO T1592
COCCOCCOCCOCCOCCOCCOCCN T15920
COCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T15921
COCCOCCOCCOCCOCCOCCOCCOCCC=O T15922
COCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T15923
COCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O T15924
COCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T15925
COCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T15926
COCCOCCOCCOCCOCCOCCOCCOCCN T15927
COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T15928
COCCOCCOCCOCCOCCOCCOCCOCCBr T15929
O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 T1593
COCCOCCOCCOCCOCCOCCOCCOCCOCC(O)=O T15933
COCCOCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O T15935
COCCOCCOCCOCCOCCOCCOCCOCCS T15938
COCCOCCOCCOCCOCCOCCOCCOCCOCCN T15940
COCCOCCOCCOCCOCCOCCOCCOCCOCCP(O)(O)=O T15941
Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 T15942
COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O T15944
C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O T15945
Cl.COc1ccc(CCN2CNC(SCc3ccc(Cl)cc3)=NC2)cc1OC T15947
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC T15948
CC(C)=CCC[C@]1(C)Oc2c(C)cc3c([nH]c4ccccc34)c2C=C1 T15949
Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 T1595
OC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O T15950
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O T15951
Fc1cc(F)c(F)c(OC(=O)CCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)c1F T15952
OC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O T15954
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O T15955
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O T1596
CC(C)(C)OC(=O)NCCCCCCN1C(=O)C=CC1=O T15967
OC(=O)C(F)(F)F.NCCCCCCN1C(=O)C=CC1=O T15968
Cl.CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 T1597
CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O T15970
OC(=O)CCSSCCNC(=O)CCN1C(=O)C=CC1=O T15971
OC(=O)C(F)(F)F.NCCN1C(=O)C=CC1=O T15972
OC(=O)CCOCCN1C(=O)C=CC1=O T15973
CC(C)(C)OC(=O)CCOCCN1C(=O)C=CC1=O T15974
BrCCOCCN1C(=O)C=CC1=O T15975
O=C(CCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T15976
Fc1c(F)c(F)c(OC(=O)CCOCCN2C(=O)C=CC2=O)c(F)c1F T15977
OC(=O)CCOCCOCCN1C(=O)C=CC1=O T15978
OCCOCCN1C(=O)C=CC1=O T15979
CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 T1597L
Cl.CC(N)C12CC3CC(CC(C3)C1)C2 T1598
CC(C)(C)OC(=O)NCCOCCOCCN1C(=O)C=CC1=O T15980
NCCOCCOCCN1C(=O)C=CC1=O T15981
O=C(CCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T15982
Fc1c(F)c(F)c(OC(=O)CCOCCOCCN2C(=O)C=CC2=O)c(F)c1F T15983
OCCOCCOCCN1C(=O)C=CC1=O T15985
CC(C)(C)OC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O T15986
O=C(CCOCCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T15987
Fc1c(F)c(F)c(OC(=O)CCOCCOCCOCCN2C(=O)C=CC2=O)c(F)c1F T15988
OC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O T15989
CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O T1599
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O T15990
O=C(CCOCCOCCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T15991
OCCOCCOCCOCCN1C(=O)C=CC1=O T15992
OC(=O)CCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O T15996
O=C(CCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T15997
OC(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O T15999
[Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O T1599L
[C@H]1(n2c(=O)[nH]c(=O)c(c2)F)[C@@H]([C@@H]([C@H](O1)C)O)O T1600
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O T16000
COc1ccc(cc1)-c1cnc(NCc2cccc(OC)c2)n1C T16007
OC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O T16008
CCOC(=O)[C@H](C)NP(N[C@@H](C)C(=O)OCC)c1ccc(o1)-c1nc(N)sc1CC(C)C T16009
ClCCN(N=O)C(=O)NC1CCCCC1 T1601
C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1 T16012
CC(C)(O)c1ccccc1-c1ccc2nc(\C=C\c3ccc(cc3)C(F)(F)F)[nH]c2c1 T16014
[H][C@@]12CC[C@H]([C@H](C)OCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T16015
Nc1ccn([C@@H]2O[C@H](COP3(=O)OCC[C@H](O3)c3ccncc3)[C@@H](O)[C@@H]2O)c(=O)n1 T16019
[Na+].CCCC(CCC)C([O-])=O T1602
CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O T16020
CCn1c2ccccc2c2cc(ccc12)-n1nncc1-c1ccccc1 T16021
CC(=O)NCCOC(=O)[C@H](Oc1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1 T16022
C[C@H](CCC(O)C1CC1)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C T16023
[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](O)C3CC3)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T16023L
[H][C@@]12CC[C@H]([C@H](C)CC[C@H](O)C3CC3)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T16023L2
CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C(C)C)c1)C(O)=O T16026
OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O T16027
Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1cccs1 T16028
Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1 T16029
Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 T1603
OCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(cc1)-c1ccccc1 T16030
OC(=O)C(=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O)\c1ccccc1 T16032
OC(=O)C(=C/c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O)\c1ccccc1 T16032L
Cc1cc(C)n(n1)-c1ccc(C)cc1O T16033
O=C1N[C@@]23N(OC)C4=C(C=CC=C4)[C@]2(C(C)(C)C=C)C=C(O)C(N3/C1=C/C5=CN=CN5)=O T16035
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC(C)c1ccccc1 T16036
[H][C@]12C[C@@H](OC(=O)c3ccccc3)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 T16037
CN1CCCC(CN2c3ccccc3Sc3ccccc23)C1 T16040
COc1ccc2c(oc3ccccc3c2=O)c1CN1CCCCC1 T16041
CC1OC(C)OC(C)OC(C)O1 T16042
CC(C)NCC(O)c1cc(O)cc(O)c1 T16043
COC(C)(C)CCCC(C)C\C=C\C(\C)=C\C(=O)OC(C)C T16044
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(O)=O T16045
CNCCOCCC(O)=O T16047
CNCCOCCC(=O)OC(C)(C)C T16048
CNCCOCCOCCC(O)=O T16049
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O T1605
CNCCOCCOCCC(=O)OC(C)(C)C T16050
CNCCOCCOCCOCCN=[N+]=[N-] T16051
CNCCOCCOCCOCCOCCC(O)=O T16052
CNCCOCCOCCOCCOCCC(=O)OC(C)(C)C T16053
CNCCOCCOCCOCCOCCOCCN=[N+]=[N-] T16054
Cc1nnc(nn1)-c1ccc(CC(O)=O)cc1 T16055
Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCN)cc1 T16057
Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCOCC#C)cc1 T16059
[Na+].CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C([O-])=O T1605L
O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 T1606
Cc1nnc(nn1)-c1ccc(CC(=O)ON2C(=O)CCC2=O)cc1 T16063
Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCN=[N+]=[N-])cc1 T16064
Cc1nnc(nn1)-c1ccc(OCCCN)cc1 T16065
Cl.CC(C)NCC(O)COc1cc(C)c(OC(C)=O)c(C)c1C T16066
Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F T16068
Cl.CN1CCc2cc3OCOc3cc2C1O T1607
Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N T16070
[H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O[C@H](CNC)CC[C@H]1N T16073
COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC T16074
CCCCCCCC\C=C/CCCCCCC(O)C(O)=O T16075
COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccc(Cl)c3)c(=O)[nH]c2n1 T16078
CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(cn2)C#N)c1O T16081
CC(C)OC(=O)C(C(=O)Nc1nc(C)cs1)=C1SCS1 T16082
Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1c(F)cccc1F T16084
COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O T16085
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(N)ncnc12 T16088
[H][C@@]12CC[C@H](C(=O)NCc3nc4cccnc4[nH]3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C(F)=C[C@]12C T16090
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N T16092
Cn1ccc2cc(cnc12)-c1nc2ccc(F)nc2o1 T16094
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1ncc([nH]1)-c1ccc(F)cc1)c1cnn(C)c1 T16095
C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 T16096
Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@](CO)(O1)C#C T16098
[H][C@]12OC[C@@H](Oc3nc4nc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3ccccc3)[C@@]1([H])OC[C@H]2O T16099
Cc1cc(C)cc(OCC2CNC(=O)O2)c1 T1610
Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 T16103
Cl.Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 T16104
CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C#N T16105
O=C(N1CCN(CC1)c1cc(nc2cc(nn12)-c1ccccc1)-c1ccco1)c1ccoc1 T16107
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 T16108
Cc1cc(Cl)ccc1OCCNC(=O)c1cccs1 T16109
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O T1611
CC(C)OC(=O)NC1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 T16110
CC1(C)c2cc(Cl)ccc2N(CCc2nnn[nH]2)c2ccc(Cl)cc12 T16112
[H][C@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](C)NC2=O T16113
CC[C@H](NC(C1=C(C=CC=C2)C2=NC(C3=CC=CC=C3)=C1NS(C)(=O)=O)=O)C4=CC=CC=C4 T16114
[H][C@]1(C)CN(C[C@@]([H])(C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 T16115
CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O T16116
Cl.NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 T16117
Cc1ccc(C)c(c1)-n1sc2cc(F)ccc2c1=O T16118
CO[C@@H](C)c1c(NC(=O)Nc2cnc(C(=O)N3CCCC3)c(Cl)c2)cnc2cc(Cl)nn12 T16119
COS([O-])(=O)=O.CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C T1612
CO[C@H](C)[C@H](OC)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 T16120
CCOC(=O)c1ccc(CC(=O)c2ccc(O)c(O)c2O)o1 T16123
CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(cc1)C(O)=O T16124
CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F T16125
C[C@](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c1ccc(SC(F)(F)F)cc1)C#N T16126
CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN3CCOCC3)c2c1 T16127
Cn1cccc1C(=O)N1CCc2cc(ccc2C1)C(=O)NO T16129
Cl.NNc1nncc2ccccc12 T1613
ONC(=O)\C=C\c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 T16131
CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 T16132
CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 T16134
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1 T16135
Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1 T16137
CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 T16138
N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=S T16139
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO T1614
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 T16140
CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1 T16141
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3cccc(CN4CCCC4)c3)ncc12 T16142
CN1CCN(Cc2ccc(cc2)-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)CC1 T16144
Cc1occ2Cc3c(O)ccc(O)c3C(=O)c12 T16145
CC(C)(C)OC(=O)CCOCCOCCOS(C)(=O)=O T16147
CS(=O)(=O)OCCOCCOS(C)(=O)=O T16148
CS(=O)(=O)OCCOCCOCCOCCOS(C)(=O)=O T16149
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T1615
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOS(C)(=O)=O T16150
CS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O T16151
[H][C@@]12C[C@H](C)[C@](OC(=O)c3ccccc3)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T16152
COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 T16154
Oc1cccc(O)c1-c1ccc(cc1)-c1ccc2[nH]cc(C#N)c2c1 T16156
C[C@H](NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(N)=O T16159
Cl.CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T1615L
Cc1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O T16160
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)=O)cc2)n1 T16161
COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 T16162
Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1 T16164
CCCCCCC(=O)CCCCCC\C=C\C[C@@H](O)[C@H](O)[C@@](N)(CO)C(O)=O T16165
Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 T16166
OC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 T16167
O=S(C1=CC=C(C)C=C1)(N[C@H](C(CCl)=O)CCCCN)=O.Cl T16169
CCN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T1617
CC(C)(C)OC(=O)N(CCOCCOCCOCCC(O)=O)CCOCCOCCN=[N+]=[N-] T16177
Cl.Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1 T1619
OC(=O)CCOCCOCCOCCNCCOCCOCCOCCN=[N+]=[N-] T16193
OCCOCCN(CCOCCO)Cc1ccccc1 T16199
CS(O)(=O)=O.C[C@H]1COc2c(c(F)cc3c2n1cc(C(O)=O)c3=O)C1(N)CC1 T1620
OCCOCCOCCOCCN(CCOCCOCCOCCO)Cc1ccccc1 T16200
[H][C@@]12CS[C@H](CCCCC(=O)N(CCOCCO)CCOCCO)[C@]1([H])NC(=O)N2 T16201
CC(C)(C)OC(=O)N(CCO)CCO T16202
CC(C)(C)OC(=O)N(CCOCCN=[N+]=[N-])CCOCCN=[N+]=[N-] T16203
CC(C)(C)OC(=O)N(CCOCCO)CCOCCO T16204
CC(C)(C)OC(=O)N(CCOCCOCC#C)CCOCCOCC#C T16205
CC(C)(C)OC(=O)N(CCOCCOCCOCCO)CCOCCOCCOCCO T16208
CC(C)(C)OC(=O)NCCOCCN(CCOCCOCC#C)CCOCCOCC#C T16210
CC(C)(C)OC(=O)NCCOCCBr T16211
CC(C)(C)OC(=O)NCCOCCOCCBr T16212
CC(C)(C)OC(=O)NCCOCCOCCOCCBr T16215
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCO T16217
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr T16218
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCO T16219
OC(=O)\C=C/C(O)=O.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 T1622
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCO T16220
CC(C)(C)OC(=O)NC(CO)CO T16221
OC(=O)CCNC(=O)CBr T16222
[Na+].ON1C(=O)CC(C1=O)S([O-])(=O)=O T16225
CCCC(=O)CC(=O)NC1CCOC1=O T16226
OC(=O)CCOCCOCCN(CCOCCOCCC(O)=O)C(=O)CCN1C(=O)C=CC1=O T16227
NCCOCCOCCN(CCOCCOCCN)C(=O)CCN1C(=O)C=CC1=O T16228
CN(CCOCCOCC#C)CCOCCOCC#C T16236
CN(CCOCCOCCOCCO)CCOCCOCCOCCO T16237
CN(CCOCCOCCOCCOCCC(O)=O)C(=O)OC(C)(C)C T16238
Cn1c2ccccc2c(=O)oc1=O T16239
O=C(O)[C@H](CSSC[C@@H](C(O)=O)NC(C)=O)NC(C)=O T16240
CC(C)(C)OC(=O)N(CCOCCO)CCOCCOCC#C T16242
CC(C)(C)OC(=O)CCOCCOCCN(CCOCCOCC#C)CCOCCOCC#C T16243
OC(=O)CCOCCOCCN(CCOCCOCC#C)CCOCCOCC#C T16244
Cl.CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 T1625
BrCC(=O)NCCC(=O)ON1C(=O)CCC1=O T16250
CC(=O)SCC(=O)ON1C(=O)CCC1=O T16251
[N-]=[N+]=NCCOCCOCCC(=O)ON1C(=O)CCC1=O T16253
Fc1c(F)c(F)c(OC(=O)CCOCCOCCN=[N+]=[N-])c(F)c1F T16254
[N-]=[N+]=NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T16255
Fc1c(F)c(F)c(OC(=O)CCOCCOCCOCCN=[N+]=[N-])c(F)c1F T16256
CC(C)(C)OC(=O)CCOCCOCCOCCN=[N+]=[N-] T16257
OC(=O)CCOCCOCCOCCN=[N+]=[N-] T16258
[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T16259
[C@H]1([C@H]([C@@H](CC1=O)O)/C=C/[C@H](CCCCC)O)CCCCCCC(=O)O T1626
Fc1c(F)c(F)c(OC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])c(F)c1F T16260
OC(=O)COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T16261
OC(=O)COCCOCCOCCOCCN=[N+]=[N-] T16262
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 T16263
[H][C@@]12OC(=O)[C@@]3(C)C[C@@H](O)[C@@H](O)[C@](C)(c4cc(=O)oc(C(C)C)c4[C@H]1O)[C@@]23[H] T16264
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1 T16265
Cl[Ru](Cl)(Cl)(Cl)(C)[N]1=CNC=C1.O=S(C)C.[-].[H+].C2=CNC=N2 T16266
C[C@@H](N\C(NC#N)=N\c1ccc(cc1)C#N)C(C)(C)C T16267
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N\OCCN)c3Cn1c2=O T16268
C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O T16269
NC(N)=Nc1nc(CSCC\C(N)=N\S(N)(=O)=O)cs1 T1627
[H][C@@]12CN(C[C@]1([H])[C@H]2NCc1ccc2cc(F)ccc2n1)c1nccc(n1)C(=O)NO T16270
CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 T16271
COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCCS(C)(=O)=O T16272
Nc1ncnc2n(CCNCCCCCO)cnc12 T16275
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1 T16276
Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)c1 T16277
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)Cc1ccccc1 T16279
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C T1628
CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(O)=O)C(O)=O T16280
C1[C@H]2C[C@@H]3CN(C2)C[C@H]1[C@H]3Oc1nnc(s1)-c1ccccc1 T16281
COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2ccc(Cl)c(C)c2[nH]1)-n1nccn1 T16282
CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 T16284
[H][C@@]12O[C@]3([H])C=C(C)[C@@H](O)C[C@]3(COC(C)=O)C(C)([C@H](OC(C)=O)[C@H]1O)C21CO1 T16285
OC(=O)c1cc(NCc2c(F)c(F)c(c(F)c2F)C(F)(F)F)ccc1O T16286
COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(o1)-c1cccc(Cl)c1 T16287
CCOC(=O)c1ccc(cc1)N(C)c1csc(n1)-c1ccccc1 T16288
OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O T16289
COc1cc(nc(c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O T16290
CN(CCC(Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O T16292
COc1ccc(CN2CCN(CC2)c2ccc(Br)c(OC)n2)cc1OC T16293
CCc1cc(Nc2nc(cs2)-c2ccc(c(F)c2)-n2cnc(C)c2)c(C)cc1C T16294
[N-]=[N+]=NCCOCCNCCOCCN=[N+]=[N-] T16295
CC(C)(C)OC(=O)NCCOCCOCCNCCOCCOCCNC(=O)OC(C)(C)C T16296
COCCOCCOCCOCCNCCOCCOCCOCCOC T16297
CC(C)(C)OC(=O)CCOCCOCCNCCOCCOCCC(=O)OC(C)(C)C T16299
CC(S)C(=O)NCC(O)=O T1630
C#CCOCCOCCNCCOCCOCC#C T16300
OCCOCCNCCOCCO T16301
[N-]=[N+]=NCCOCCOCCOCCNCCOCCOCCOCCN=[N+]=[N-] T16302
OCCOCCOCCNCCOCCOCCO T16305
OCCOCCOCCOCCNCCOCCOCCOCCO T16308
OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCO T16309
CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O T1631
CC(C)(C)OC(=O)CCOCCN T16310
CC(C)(C)OC(=O)CCOCCOCCN T16311
NCCOCCOCCO T16312
NCCOCCOCCOCCOCCC(O)=O T16313
NCCOCCOCCOCCOCCO T16314
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCN T16315
NCCOCCOCCOCCOCCOCCOCCC(O)=O T16316
NCCOCCOCCOCCOCCOCCOCCO T16317
NCCOCCOCCOCCOCCOCCOCCOCCO T16318
NCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T16319
[H][C@@]12CC(=O)N1[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S2(=O)=O T1631L
CN(\C=N\c1ccc(C)cc1C)\C=N\c1ccc(C)cc1C T1632
Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O T16321
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCNC(=O)c1cccnc1 T16322
[H][C@@]12CC(C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@]3(C)C4[C@@]([H])(OC(=O)[C@]4(C)C=CC3=O)[C@@]1([H])O2)c1ccoc1 T16324
Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(O)C#C T16325
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 T16326
CN(C)CCCNc1c2ccccc2nc2cccc([N+]([O-])=O)c12 T16327
CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+]([O-])=O)c1 T16328
CC(C(=O)OCCCCO[N+]([O-])=O)c1ccc(c(F)c1)-c1ccccc1 T16329
COc1ccc(cc1)C(=C(/c1ccccc1)[N+]([O-])=O)\c1ccc(OCCN2CCCC2)cc1 T16330
O=C(NCc1ccccn1)Nc1nnc(o1)-c1ccco1 T16331
Nc1ncc2C(=O)CC(Cc2n1)c1ccco1 T16333
C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O T16334
COCCOCCOCCOCCOCCOCCOCCOCCOCCO T16336
OCCOCCOCCOCCOCCOCCOCCOCCOCCO T16337
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO T16338
Cl.COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC T16339
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 T1634
CC(C)c1nc-2c([nH]1)C(=O)C(=O)c1ccccc-21 T16342
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCN1CCOCC1 T16343
Brc1ccc2OCc3noc(=O)n3-c2c1 T16344
Cc1cc(C)n(n1)-c1nc(Nc2ccc(Cl)cc2)c2ncn(C)c2n1 T16345
OC(=O)c1ccccc1NC(=O)Nc1cccc(c1)C(F)(F)F T16346
FC(F)(F)c1cccc(NC(=O)Nc2ccc(Br)cc2-c2nn[nH]n2)c1 T16347
Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1 T16349
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl T1635
Oc1c(cc(c2cccnc12)S(O)(=O)=O)\N=N\c1ccc2cc(ccc2c1)S(O)(=O)=O T16350
Cc1ccc(cc1)S(=O)(=O)Oc1cc(cc2cc(cc(N)c12)S(O)(=O)=O)S(O)(=O)=O T16351
Cl.Cl.COc1ccc(cc1)-c1cc(C(O)C2CCCCN2)c2ccccc2n1 T16352
CC1CC2Oc3ccc(Cl)cc3C(=O)N2O1 T16353
O=C1c2ccccc2C(=O)c2c1ccc1nsnc21 T16354
OC(=O)C=O T16356
ClC1=C(NCCN2CCOCC2)C(=O)c2ncccc2C1=O T16357
CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 T16359
Cl.Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 T1636
C=CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 T16360
Nc1ncnc2n(cnc12)[C@@H]1O[C@](F)(COS(N)(=O)=O)[C@@H](O)[C@H]1O T16361
CN1CCC(CC1)C(=O)N1c2ccccc2NC(=O)c2cccnc12 T16362
Cl.Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F T16365
OC1CCN(CC1)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1cc(F)c(F)c(F)c1 T16366
CC(C)NC(=O)N1CC[C@@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 T16367
Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 T16369
FC1=CC=C([C@H]2[C@H](COC3=CC=C(OCO4)C4=C3)CNCC2)C=C1.[H]Cl T1636L
Cl.N[C@@H](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O T16370
CC(=O)C(=O)Oc1ccccc1C(O)=O T16371
[Cl-].[Cl-].O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 T16372
COCCOCCOCCOCCOCCOCCOCCOCCO T16374
OCCOCCOCCOCCOCCOCCOCCOCCO T16375
Cc1cc(=O)oc2cc(OC3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12 T16377
Nc1nc(NCc2ccccc2)nc(n1)-c1ccccc1CO T16378
CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O T1638
OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)c(F)c1 T16380
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O T16384
[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O T16385
Cl.COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO T16386
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO T16387
OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)n1 T16389
CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O T1639
[H][C@@]12C[C@@H]3O[C@@]33[C@H](OC(=O)CCC(O)=O)[C@]4(O[C@H]4[C@@H]4O[C@]34[C@@]1(C)CCC1=C2COC1=O)C(C)C T16390
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(O)c2)c(OC)c1 T16391
Fc1ccc(CN2C3=NCCN3C3=C(CN(Cc4ccccc4)CC3)C2=O)c(F)c1 T16392
COc1cc(Cl)ccc1[C@@H]1N(CC2(CC2)c2c1[nH]c1cccc(F)c21)C(C)=O T16393
C[C@@H]1CS\C(=N/NC(=O)C(=O)[C@@H](NC(=O)C2CCCCCC2)C2CCOCC2)N1C T16394
COc1ccc(\C=C\CCCCOc2cccc(OCCCCC(O)=O)c2CCC(O)=O)cc1 T16395
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T16396
[H][C@]12C[C@@]3(C)CC[C@@]4(O[C@H](C[C@@H]4C)C=C(C)C)[C@]3([H])C\C=C(C=O)/[C@@]1([H])C(=O)C[C@@]2(C)O T16397
Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O T16398
CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCOCC1)N(C)C T16399
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O T1640
FC(F)(F)c1ccc(nc1Cl)N1CCNCC1 T16401
[H][C@@]12CCCN1C(=O)c1cccnc1OC2 T16402
COc1cccc(c1)-c1nc(SC)nc2sc(C(=O)NC(C)(C)C)c(N)c12 T16403
Cc1ncc(n1CC(O)CO)[N+]([O-])=O T16405
CC(C)=CCc1c(O)c2c(occ(-c3ccc(O)cc3)c2=O)c2C=CC(C)(C)Oc12 T16407
COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1 T16410
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 T16411
CC(C)Oc1cc(c(Cl)cc1Cl)-n1nc(oc1=O)C(C)(C)C T16414
ONC(=O)\C=C\C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1 T16415
CC(C)NCC1CCc2cc(CO)c(cc2N1)[N+]([O-])=O T16416
[Br-].CC[N@@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 T16417
CCC(O)(COC(N)=O)c1ccccc1 T16418
CCCCC1C(=O)N(N(C1=O)c1ccc(O)cc1)c1ccccc1 T16419
Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O T1642
CCC(C)(C)N\C(NC#N)=N\c1cccnc1 T16420
O=C(NCCCNC(=O)Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1 T16423
FC1=CC(F)=C(C2=CC=NC(C2=CC=[NH+]3[O-])=C3C4=C(C)C=CC=C4)C=C1 T16424
CCCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(O)=O)C(C)(C)CCC2(C)C T16425
CCCc1nc(ccc1\C=C\C(=O)N[C@H](C)c1cc(F)c(NS(C)(=O)=O)c(F)c1)C(F)(F)F T16426
COCc1nn2c(CN3C[C@@H](CC(F)(F)Cl)CC3=O)c(nc2s1)C(F)(F)F T16427
CONC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(=N)NOC T16428
COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1 T16429
Nc1nc2n(CCC(CO)CO)cnc2c(=O)[nH]1 T1643
FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc(cc2)-c2ccccc2)CC1 T16430
COC(=O)NCCc1ccc(OCC(O)CNC(C)C)cc1 T16431
Nc1cc(OCC2CC2)c(cc1Cl)C(=O)NC1CN2CCC1CC2 T16433
CCCn1cc(cn1)-n1c(C)c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c12 T16434
Cc1ccc(cc1)-n1sc2ccccc2c1=O T16435
CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1cccc2ccccc12 T16436
Cl.NCCc1ccc(O)c(O)c1 T1644
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C T16440
Cl.Cl.C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2CCCc3ccccc3-c2nn1 T16443
OC(=O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 T16444
CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 T16445
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1 T16446
Cl.CCC[C@@H](C)C[C@H](N)CC(O)=O T16447
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)C(C)NC(CCc1ccccc1)C(=O)OCC T1645
Clc1ccc2nc(NS(=O)(=O)c3cc4ccccc4s3)sc2c1 T16450
CCOP(=O)(OCC)OCCOCCOP(=O)(OCC)OCC T16453
CCOP(=O)(CCOCCOCCOCCP(=O)(OCC)OCC)OCC T16454
CCOP(=O)(OCC)OCCOCCOCCOP(=O)(OCC)OCC T16455
OP(O)(=O)CCOCCOCCOCCP(O)(O)=O T16456
CNCCOCCOCCO T16457
CCOP(=O)(OCC)OCCOCCOCCOCCOP(=O)(OCC)OCC T16458
CS(=O)(=O)OCCOCCOCCOCCO T16459
CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(C)=O T1646
OCCOCCOCCOCCS(O)(=O)=O T16460
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCO T16462
CC(C(O)=O)c1ccc(\C=C2/CCCCC2=O)cc1 T16464
COCCOCCOCCOCCOCCO T16467
OCCOCCOCCOCCOCCO T16468
Cn1c(COC(N)=O)ncc1[N+]([O-])=O T1647
CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F T16470
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br T16471
OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1 T16472
OP(O)(=O)CCN1CCCNc2c1c(=O)c2=O T16473
CC[C@@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C T16475
CCNC(=O)[C@H]1C[C@@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 T16476
C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 T16478
CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1 T16479
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 T1648
OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 T16480
OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 T16481
Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C(F)(F)F T16482
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1 T16483
Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 T16484
CC(C)COc1ncc(cc1Cl)-n1nc(C)c2cc(ccc12)C(=O)NS(C)(=O)=O T16487
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC T16489
n1(c2c(nc1)c(ncn2)N)C[C@H](OCP(=O)(O)O)C T1649
Cl.Clc1cccnc1N([C@@H]1CCCNC1)C(=O)c1ccc(cc1)-n1nnc2cccnc12 T16491
CO[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C T16492
COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCC2)c1 T16494
CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F T16495
[H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)O[C@H](CO)C(F)(F)F T16496
CN1N=C(C2=CC=C(OCC3=NC4=CC=CC=C4C=C3)C=C2)C(C5=CC=NC=C5)=C1.Cl[H] T16498
CN(N=C1C2=CC=C(OCC3=NC4=CC=CC=C4C=C3)C=C2)C=C1C5=CC=NC=C5 T16499
Clc1ccc2oc(=O)[nH]c2c1 T1650
O=C(N[C@@H](CC1=CC=CC=C1)C(N(C)C2=CC=CC=C2)=O)CC3=C(C)NC4=C3C=CC=C4 T16500
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccc(C)nc2)C(=O)N1 T16501
OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 T16502
Cn1nccc1-c1ccc(Sc2cccc(c2)C2(CCOCC2)C(N)=O)cc1 T16503
CC(C)S(=O)(=O)N[C@H]1CCOC[C@@H]1c1ccc(cc1)-c1ccc(s1)C#N T16505
CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O T16506
Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccon2)CC1)-c1ccc(F)cc1 T16507
[Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C T1651
Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 T16510
Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C T16511
Cn1cc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12 T16512
[H][C@]12SC(S[C@H]3CCS(=O)C3)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(=O)OCOC(=O)C(CC)CC T16513
COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N T16514
O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1 T16515
CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1 T16516
Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F T16517
Cn1nc(CC(=O)Nc2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cc2)c2ccccc2c1=O T16518
CCN(CC)CCC1(CCC(=O)NC1=O)c1ccccc1 T16521
Oc1ccc(cc1)C1=Cc2ccc(O)cc2OC1 T16522
Cl.CCn1c2ccccc2c2cc(CNC)ccc12 T16523
CCn1c2ccccc2c2cc(CNC)ccc12 T16523L
Cn1c(N)nc2ncc(cc12)-c1ccccc1 T16525
O=P(O[Na])(O[Na])O[C@H]1[C@H]([C@H]([C@H](OP(O[Na])(O[Na])=O)[C@@H](OP(O[Na])(O[Na])=O)[C@@H]1OP(O[Na])(O[Na])=O)OP(O[Na])(O[Na])=O)OP(O[Na])(O[Na])=O.[x].O.[12Na] T16527
Nc1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1 T16528
Cc1nc2c(NCc3cccc(c3)S(C)(=O)=O)nccn2c1-c1ccc(O)c(F)c1 T16530
CCC(C)OC(=O)N1CCCCC1CCO T16531
[H][C@@]12OC(=O)[C@@]([H])([C@]1([H])C(C)(C)O)[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@@]2([H])[C@]13C T16533
[H][C@@]12C[C@@]3(O)[C@]4([H])[C@H](C(C)=C)[C@@]([H])(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C T16535
Cl.OC(CN1CCCCC1)Cn1ccnc1[N+]([O-])=O T16536
OC(CN1CCCCC1)Cn1ccnc1[N+]([O-])=O T16537
Nc1nc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)c2[nH]cnc2n1 T16538
CCOC(=O)c1nc2[nH]c3cc(OC)c(OC)cc3cc2c(=O)n1 T16541
CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCCC1 T16542
CC[C@@H]1C=CC(=O)O[C@@H]1C[C@@H](O)[C@H](C)[C@H](OC)[C@@H](C)C\C=C\C T16543
C[C@H](CSC(=O)C(C)(C)C)C(=O)N(CC(O)=O)C1CCCC1 T16544
CCCC(=O)OCOC(=O)C(C)(C)C T16545
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl T16546
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1cc(ccc1F)[N+]([O-])=O T16547
CCOC(=O)\C=C/n1ncnc1-c1cc(Cl)ccc1N T16548
OC1=CC=C(C2=CC3=C(N=CN=C3N2)N[C@@H](C4=CC=CC=C4)C)C=C1 T16549
COC([C@H](Oc1nc(C)cc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1 T1655
O=C1Nc2ccc3ncsc3c2\C1=C\c1cnc[nH]1 T16550
[H][C@@]12C(=O)CCC11CC[C@@H](C)C2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CO T16552
[Na+].[Na+].[O-][N+](=O)c1ccc(OP([O-])([O-])=O)cc1 T16554
CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1 T16556
N.CCCCCCCCCCCCCOCCCO T16558
CC(C)C1=C\C(=N/O)C(C)=CC1=O T16559
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 T1656
CC(C)C1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O T16560
O=C(OCCO)CCCCCCCCCCCCCCCCC.[n].[n].[=].[10] T16561
Cc1ncccc1OC[C@@H]1CCCN1 T16563
COc1cc(nc2c(OCC=C(C)C)cccc12)C(=O)OCC=C(C)C T16565
CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 T16566
C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 T16567
O[C@@H]([C@H](O)C(O)=O)C(O)=O.C1C2CNCC1c1cc3nccnc3cc21 T1657
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 T16571
OC(=O)\C=C/C(O)=O.CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)C1CC1)c1ccccc1F T16572
CCCc1nc2CCCCC(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T16573
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(=O)(=O)O[Na] T16574
CS(O)(=O)=O.CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O T16576
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccc(Cl)c(F)c1 T16577
CC(O)C[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O T16579
C[Se]CCC(N)C(O)=O T1658
CCCCCC1=C\C(=C/c2[nH]c(cc2OC)-c2ccc[nH]2)N=C1C T16580
NC(=O)CCC\N=C(\c1ccc(Cl)cc1)c1cc(F)ccc1O T16581
CCC(=O)Nc1ccc(Cl)c(Cl)c1 T16582
OC(=O)CCOCC#C T16583
C=CC(=O)OCCOCC#C T16584
CC(C)(C)OC(=O)CCOCC#C T16585
NCCOCC#C T16586
O=C(CCOCC#C)ON1C(=O)CCC1=O T16587
OCCSSCCOCC#C T16588
OC(=O)CCOCCSSCCOCC#C T16589
COc1ccc2[nH]cc(CCNC(C)=O)c2c1 T1659
CC(C)(C)OC(=O)CCOCCSSCCOCC#C T16590
Fc1c(F)c(F)c(OC(=O)CCOCCSSCCOCC#C)c(F)c1F T16591
C#CCOCCSSCCOCC#C T16592
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C T16594
OC(=O)CCOCCOCC#C T16597
NCCOCCOCC#C T16598
O=C(CCOCCOCCOCC#C)ON1C(=O)CCC1=O T16599
COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O T1660
CS(=O)(=O)OCCOCCOCC#C T16600
OCCOCCN(CCOCCO)CCOCCOCC#C T16601
CC(C)(C)OC(=O)NCCOCCOCC#C T16602
OCCOCCOCC#C T16603
Cc1ccc(cc1)S(=O)(=O)OCCOCC#C T16604
OC(=O)CCOCCOCCOCC#C T16605
OCCOCCOCCOCC#C T16606
CC(C)(C)OC(=O)CCOCCOCCOCC#C T16607
BrCCOCCOCCOCC#C T16608
OC(=O)COCCOCCOCCOCC#C T16609
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl T1661
CC(C)(C)OC(=O)COCCOCCOCCOCC#C T16610
CCOP(=O)(CCOCCOCCOCC#C)OCC T16611
OP(O)(=O)CCOCCOCCOCC#C T16612
[O-][N+](=O)c1ccc(OC(=O)OCCOCCOCCOCCOCC#C)cc1 T16613
OC(=O)CCOCCOCCOCCOCC#C T16614
OCCOCCOCCOCCOCC#C T16615
NCCOCCOCCOCCOCC#C T16616
OC[C@H]1O[C@@H](OCCOCCOCCOCCOCC#C)[C@H](O)[C@@H](O)[C@H]1O T16617
CC(C)(C)OC(=O)CCOCCOCCOCCOCC#C T16618
BrCCOCCOCCOCCOCC#C T16619
Cl.NCC(=O)CCC(O)=O T1662
OC(=O)CCOCCOCCOCCOCCOCC#C T16620
O=C(CCOCCOCCOCCOCCOCC#C)ON1C(=O)CCC1=O T16621
OC(=O)CCCOCCOCCOCCOCC#C T16622
COC(=O)CCCOCCOCCOCCOCC#C T16623
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCC#C T16624
OC(=O)COCCOCCOCCOCCOCC#C T16625
COCCOCCOCCOCC#C T16626
CNCCOCCOCCOCCOCC#C T16627
O=C(CCOCCOCCOCCOCC#C)ON1C(=O)CCC1=O T16628
CC(C)(C)OC(=O)COCCOCCOCCOCCOCC#C T16629
O=C(COCCOCCOCCOCCOCC#C)ON1C(=O)CCC1=O T16630
OS(=O)(=O)CCOCCOCCOCCOCC#C T16631
SCCOCCOCCOCCOCC#C T16634
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCC#C T16635
NCCOCCOCCOCCOCCOCC#C T16636
O=C(CCOCCOCCOCCOCCOCCOCC#C)ON1C(=O)CCC1=O T16637
OCCOCCOCCOCCOCCOCC#C T16638
OC(=O)CCOCCOCCOCCOCCOCCOCC#C T16639
CC(O)(CC(O)=O)CC(O)=O T1664
OCCOCCOCCOCCOCCOCCOCC#C T16640
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCC#C T16641
O=C(CCOCCOCCOCCOCCOCCOCCOCC#C)ON1C(=O)CCC1=O T16642
NCCOCCOCCOCCOCCOCCOCC#C T16643
OC(=O)CCOCCOCCOCCOCCOCCOCCOCC#C T16644
OCCOCCOCCOCCOCCOCCOCCOCC#C T16645
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCC#C T16646
OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCC#C T16648
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCC#C T16649
BrCCOCCOCCOCCOCCOCCOCCOCCOCC#C T16650
NCCOCCOCCOCCOCCOCCOCCOCCOCC#C T16651
OCCOCCOCCOCCOCCOCCOCCOCCOCC#C T16652
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C T16653
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C T16655
OCCOCC#C T16656
CC(C)(C)OC(=O)NCCOCCO T16657
CC(C)(C)OC(=O)NCCOCCOCCOCCO T16658
CC(C)(C)OC(=O)NCCOCCOCCN T16659
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C T1666
OC(=O)COCCOCCOCCN=[N+]=[N-] T16660
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN T16661
OCCOCCOCCOCCO T16662
NCCOCCOCCN T16663
NCCOCCOCCOCCOCCN=[N+]=[N-] T16664
OCCOCCOCCO T16665
CC(C)(C)OC(=O)COCCOCCOCCN T16666
O=C(C1=C(NC(NC2=CC=C(Cl)C=C2)=O)SC3=C1CCN(CC)C3)N T16668
Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N T16669
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO T1666L
OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O T16670
OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 T16671
NC(=N)NCC(=O)N(O)[C@@H](CCC(N)=O)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1c[nH]c(=O)[nH]c1=O T16673
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1c[nH]c(=O)[nH]c1=O T16674
[H][C@@]12COP(=O)(OC(C)C)O[C@@]1([H])[C@@](C)(F)[C@@H](O2)n1cnc2c(OCC)nc(N)nc12 T16675
OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12 T16676
Nc1ncnc2n(cnc12)[C@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O T16677
CC(C)(C)OC(=O)N1CCC(CC1)OCc1nc(no1)-c1ccncc1 T16678
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12 T16679
Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(cc2)C(F)(F)F)n1 T16680
C[C@@H](O)c1nnc(o1)[C@H]1C[C@@H](C1)NC(=O)c1cc(no1)-c1ccccc1 T16681
COC(=O)Nc1cccc(C)c1CNc1cccn2c(C)c(C)nc12 T16682
Cl.O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O T16683
CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O T16684
Oc1cc2cccc(O)c(=O)c2c(O)c1O T16685
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F T16686
CCOC(=O)c1cnn(c1C(F)(F)F)-c1ccc(NC(=O)C(Cl)=C(Cl)Cl)cc1 T16687
Fc1cnccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F T16688
NC(=O)c1n[nH]c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O T16690
[N-]=[N+]=NCCOCCOCCOCCNC(=O)c1ccc2CC=C3CC=Cc4ccc1c2c34 T16691
OC(=O)CCOCCOCCOCCOCCNC(=O)c1ccc2CC=C3CC=Cc4ccc1c2c34 T16692
OCCOCCOCCOCCOCCNC(=O)c1ccc2ccc3cccc4ccc1c2c34 T16693
Cc1cc(cnc1-c1cccnc1)-c1ncc(cc1\C=C\c1ccccc1)-c1cccnc1 T16694
Oc1ccc2N(CCCc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCC2CC2)n1 T16695
CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1 T16696
[Cl-].CN(C)c1ccc2cc3ccc(cc3[o+]c2c1)N(C)C T16698
[O-][N+](=O)c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(F)c(Cl)c2)o1 T16699
CN(c1ccccc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1 T16700
Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 T16702
ClC(Cl)C(=O)N1CCCc2cc(OC(=O)c3ccco3)ccc12 T16705
NC1=C(Cl)C(=O)c2ccccc2C1=O T16706
O=C(NC1=C(C)C=CC=C1C)C[N+](CC)(CC)CC.[Br-] T16707
Cc1cccc(n1)-c1n[nH]cc1-c1ccc(F)c(c1)-c1cnn(CCO)c1 T16708
Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccccc1)c1ccc(F)cc1 T16709
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 T1671
CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C T16710
OC[C@@H]1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 T16711
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS T16712
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C T16713
CC(C(O)=O)c1cccc2c(coc12)-c1ccccc1 T16715
COc1cccc(c1)-c1nccc2[nH]c(=O)c(cc12)-c1noc(C)n1 T16717
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(F)c1)-c1ccc(CNCc2cnn[nH]2)cc1 T16718
[H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)\C=C\C=C/[C@@]1([H])O2 T16719
[Na+].[Na+].[O-]S(=O)(=O)CCSSCCS([O-])(=O)=O T1672
CC1(C)N2Cc3c(Cl)c(Cl)ccc3N=C2NC1=O T16720
CC(C)(C)Cn1c(N)nc2ccc(nc12)-c1[nH]c(nc1-c1ccc(F)cc1)C(C)(C)C T16721
CC(C)Nc1c(C)n(C)n(-c2ccccc2)c1=O T16722
Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O T16723
O=C(CSc1nc(cc(-c2cccs2)c1C#N)-c1cccs1)c1cccs1 T16725
NC(=O)c1ccn(c1)-c1cnc(NC[C@@]2(C[C@H](F)C2)c2ncccc2F)nc1 T16728
COC(=O)c1ccc(OC(=O)CCCCCCC(=O)NO)cc1 T16729
[Ca++].CC(=O)NCCCS([O-])(=O)=O.CC(=O)NCCCS([O-])(=O)=O T1673
OC(=O)C1CSC(N1C(=O)CCS)c1ccccc1O T16731
CC[C@@H](O)\C=C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O T16733
Oc1ccc2nc3ccc(=O)cc3oc2c1 T16734
[Na]Oc1ccc2nc3ccc(=O)cc3oc2c1 T16734L
CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 T16736
COCCCN1CC[C@@H](CNC(=O)c2cc(Cl)c(N)c3CC(C)(C)Oc23)[C@H](O)C1 T16737
NC(=N)NCCC[C@H](NC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O T16738
C(Oc1ccc(OCc2ccccc2Cc2nnn[nH]2)cc1)c1ccc2ccccc2n1 T16739
CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O T1674
CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O T16740
[Cl-].Nc1ccc2c(-c3ccccc3C(O)=O)c3ccc(N)cc3[o+]c2c1 T16742
[Cl-].COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12 T16743
COC(c1c(c(c(ccc(N)c2)c2o3)c4c3cc(=N)cc4)cccc1)=O T16743L
[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C T16744
Cl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)N\N=C\c1ccc2nccnc2c1 T16745
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N\N=C\c1ccc2nccnc2c1 T16746
c1cc(ccn1)-c1nc2cc(ccc2[nH]1)-c1ccc2[nH]c(nc2c1)-c1ccncc1 T16748
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 T16750
C[C@H](c1cc(NC(=N)N2CCOCC2)on1)c1ccc(c(F)c1)-c1ccccc1 T16752
COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C T16753
CC(=O)N(Cc1ccc(F)cc1)C1=C(NCc2ccccc2)C(=O)c2ccccc2C1=O T16754
CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)(C)C T16755
CCCCCOc1ccc(cc1OCC)C1SC(=O)NC1=O T16756
Cc1cn2nc(cc(C)c2n1)-c1cc(=O)n2cc(ccc2n1)N1CCNC2(CC2)C1 T16757
CN1CCCC(C1)C(=O)N1c2ccccc2NC(=O)c2cccnc12 T16758
Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1 T16759
CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O T1676
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1 T16760
OCCN1CC2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F T16761
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N T16762
[O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 T16763
COc1ccccc1NC(=O)c1ccccc1Sc1ccc(cc1)[N+]([O-])=O T16764
O=C(O)C1=CC=C(N2C(C)=C(/C=C(C#N)/C(NC3=CC=CC(Br)=C3)=O)C=C2C)C=C1 T16765
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C=O T16766
CCCCC\C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 T16767
OC1=CC=C(C=C1O)OCC(CNCCC2=CC=C(C(OC)=C2)OC)O T16769
Cl.NCCNC(=O)c1ncsc1-c1cccc(F)c1 T16770
[H][C@]12CCCc3cccc([C@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 T16772
Nc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(N)cc2[nH]1 T16773
Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2O)c(=O)n1 T16774
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] T16775
Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C T16776
CN(C)CCC1CN(C)C(=S)c2cccnc2O1 T16778
COCc1c(CN2CCNC(=O)C2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1 T16781
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 T16782
O=C1CCC2CCC(=O)N12 T16783
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@](=N)(=O)C2CC2)ncc1C(F)(F)F T16784
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)cnc1=O T16785
COc1ccc(cc1)C1(NC(=O)N(CCCN2CCC(CC2)c2ccccc2)C1=O)c1ccccc1 T16786
Cc1cc(NC(=O)C(=O)c2cc(Cc3ccc(cc3)C#N)n3ccccc23)sn1 T16788
CCn1cc(C(O)=O)c(=O)c2ccc(cc12)-c1ccncc1 T16789
C[C@H](C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H]1C[C@@H](CN1C(=O)[C@H]2CCCN2C(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)C)O.OC(C(F)(F)F)=O T16790L
CCOC(=O)Cn1nc(cc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F T16792
CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1 T16793
FC(F)c1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21 T16794
Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 T16795
OC(=O)C1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(Br)c1 T16797
Cl.CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 T16798
Cn1c(Sc2ccc3ccccc3n2)nc2n(C)c(=O)nc(O)c12 T16799
Cl.C(C1=NCCN1)c1ccccc1 T1680
Cc1o[nH]c(=O)c1CC(N)C(O)=O T16800
NC(C(O)=O)c1nnn[nH]1 T16801
COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O T16802
OC1CCc2c1ncnc2Nc1ccc(cc1)C#N T16803
O=C(NCCN1CCCCC1)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1 T16804
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F T16806
[H][C@@]([C@@H](C)C(F)(F)F)(C(=O)Nc1cc(ccc1Cl)[C@@H](CC(O)=O)C1CC1)c1ccc(Cl)cc1 T16808
NCCN.Cn1c2nc[nH]c2c(=O)n(C)c1=O.Cn1c2nc[nH]c2c(=O)n(C)c1=O T1681
Fc1ccc(N2CCN(CCSc3nnc4ccccn34)CC2)c(F)c1 T16810
CCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc12 T16811
OCCC#Cc1nc(c(-c2ccncc2)n1CCCc1ccccc1)-c1ccc(F)cc1 T16812
Nc1ccn([C@H]2[C@H](O)[C@H](O)C(CO)=C2F)c(=O)n1 T16813
Cl.C1CCN(C1)[C@@H]1CCCC[C@@H]1c1ccccc1 T16814
CC(C)C(=O)Nc1ccc(N(C)C)c(c1)C(=O)N[C@H](C)c1ccccc1 T16815
O=S1(=O)N[C@H]2CCCN2c2ccccc12 T16816
CCN1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O T16817
CC(=O)SCCOCCOCCO T16819
[Cl-].CC(C[N+](C)(C)C)OC(C)=O T1682
CC(=O)SCCOCCOCCOCCN=[N+]=[N-] T16820
CC(=O)SCCOCCOCCOCCC(=O)OC(C)(C)C T16821
CC(=O)SCCOCCOCCOCCC(O)=O T16822
CC(=O)SCCOCCOCCOCCO T16823
CC(=O)SCCOCCOCCOCCOCCC(=O)OC(C)(C)C T16824
CC(=O)SCCOCCOCCOCCOCC#C T16825
CC(=O)SCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C T16826
CC(=O)SCCOCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T16827
CC(=O)SCCOCCOCCOCCOCCOCCOCCOCCO T16828
CO[C@H](C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1 T16829
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](O)[C@@H]2O T1683
CSC(=N)NCCC[C@H](N)C(O)=O T16830
COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F T16833
CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 T16834
Nc1c(ncn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O T16837
[H][C@@]12CC[C@]3(C)[C@]([H])(C=CC4=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@@]34C)[C@@]1(C)CC[C@H](O)[C@@]2(C)CO T16838
Oc1cc2nc3ccccc3nc2c2ccccc12 T16839
[O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F T1684
C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 T16841
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 T16844
COc1c(O)cc2C(=O)N(C)c3cc4ccccc4c1c23 T16846
CNC(=O)COC(=O)NCCC1CCN(CC1)c1cccc(C)n1 T16847
O=C1NC(=O)c2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13 T16848
CC[C@H](NC(=O)c1c(C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 T16849
Nc1ccc(Cl)cc1C(=O)c1ccccc1 T1685
Brc1ccccc1NC(=O)Nc1ccc(C#N)c2nn[nH]c12 T16850
OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O T16851
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)(=O)=O)n1C)-c1ccncc1 T16853
FC1=C(C2=C(C(N3[C@H](CC4=NN=C(C5=CC=CC=C5)O4)CCC3)=O)N=C(C)S2)C=CC=C1 T16854
Cl.Cl.CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N T16855
COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F T16856
O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3C2)C#N)CC1)c1cc2ccccc2[nH]1 T16857
COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(c1)C(N)=O T16859
Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O T1686
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)CCO)C1(F)CC1 T16860
OC(=O)C[C@@]1(O)C[C@@H](CCCCCCc2ccc(Cl)cc2Cl)OC1=O T16861
CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO T16862
CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(N)=O T16863
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)C(C)C T16864
Cc1nc2c(OCc3ccccc3)cccn2c1CC#N T16865
COC(=O)c1cc(CCc2cc(OC)ccc2OC)ccc1O T16866
COc1cccc(c1)C(=O)CC(=O)C(=O)Nc1cc(Cl)ccc1C T16867
Cc1ccc(Cl)cc1NC(=O)C(\O)=C\C(=O)c1ccc(F)cc1 T16868
CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O T16869
[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O T1687
CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12 T16870
CC1CCC(CC1)NC(=O)N(CCCl)N=O T16871
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N T16877
C[C@H]1CN(C[C@@H](C)N1)c1ncc(c(N)n1)-c1cccc(Cl)c1Cl T16878
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T1688
ICC(=O)ON1C(=O)CCC1=O T16880
Cl.CN1CCCC1CCSc1ccc(O)cc1 T16881
Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1 T16882
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O T16883
[NH4+].CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC([O-])=O)C12 T16885
N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T16886
CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl T16887
CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)cc(Cl)c1OCC(=O)OC T16888
CCn1c(C)c(C)n2c1nc1n(C)c(=O)n(C)c(=O)c21 T16889
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(O)=O T1689
Cc1cc2nc(N)oc2c2ccccc12 T16891
Br.Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 T16892
Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 T16893
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C T16894
CCCCc1[nH]c(CCc2ccccc2)nc(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T16895
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)c1nc(CN(C)Cc2ccccc2)no1 T16897
NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12 T16898
Nc1c(Br)cc(Br)cc1C=O T1690
C\C(Nc1cccc(O)c1)=C\C(=O)c1ccc(Cl)cc1 T16900
CCCCc1ccc(NC(C)=O)c(C)c1 T16901
OC(=O)\C=C\c1ccc(O)c(O)c1\C(=C/c1ccc(O)c(O)c1)C(O)=O T16902
O=C(CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O T16903
CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 T16906
[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 T16909
OC(=O)c1ccc(C=O)cc1 T1691
Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 T16910
OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cc(\C=C\Br)c(=O)[nH]c1=O T16911
COC(=O)C1=C(C)NC2=C(C1c1ccc(o1)-c1ccc(cc1)C(O)=O)C(=O)c1ccccc21 T16912
CC(C)Cn1c(C)nc2c(N)nc3cccnc3c12 T16913
COCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO T16914
O=C(CCSSc1ccccn1)NCCCCCC(=O)ON1C(=O)CCC1=O T16915
OC(=O)CCOCCOCCOCCOCCNC(=O)CCSSc1ccccn1 T16916
CC(C)(C)NCC(O)COc1cccc2C(=O)C3(Cc12)CCCCC3 T16919
COc1ccc(CCC(O)=O)cc1OC T1692
[H][C@]12C[C@H](OC(=S)S[K])[C@]([H])(C1)[C@]1([H])CCC[C@]21[H] T16920
CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12 T16923
COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12 T16924
CC(C)=CCC\C(C)=C\CNCCNC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 T16925
Cl.CCN(C\C=C/c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1 T16926
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1 T16927
[H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)n1)C2(C)C T16928
Oc1ccc2ccc(=O)oc2c1 T1693
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cccc(c1)S(F)(=O)=O T16931
O[C@@H]1CCN(Cc2csc3nc(cn23)-c2ccccc2NC(=O)c2ccc3ccccc3c2)C1 T16932
C[C@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO T16933
ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1 T16936
Clc1ccc2oc(cc(=O)c2c1)C(Cl)(Cl)Cl T16938
Oc1nc(O)c2cn[nH]c2n1 T1694
CC1(C)CCN(CCOc2ccc3[nH]ccc3c2)c2ccc(cc12)-c1cccnc1 T16940
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C T16943
Cc1cc(ccc1F)-n1c2c3ccnc3[nH]cc2ccc1=O T16944
Cc1[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)c(C)c1CCC(O)=O T16947
NS(=O)(=O)c1ccc(N2C(=O)CC(C2=O)c2ccccc2)c(Cl)c1 T16948
NC(Cc1ccccc1O)C(O)=O T1695
CN1C(C(=O)Nc2nccs2)=C(O)c2ccccc2S1(=O)=O T16950
CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1 T16951
Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br T16952
[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c1cncc(Cl)n1 T16953
CCc1nc(CC)nc(NS(=O)(=O)c2ccc(N)cc2)n1 T16954
CCN(CC)C(=S)SC(=S)N(CC)CC T16955
NCC(C(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)S(O)(=O)=O T16956
CC(=O)ON1C(=O)CC(C1=O)S(O)(=O)=O T16959
C1CN(CCN1)c1ncccn1 T1696
NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O T16960
COc1cc(OC)cc(c1)N1CCN(CC1)C(=O)Nc1nc2cc(F)ccc2nc1OC T16961
ONC(=O)c1ccc(CN2CCCc3cc(Cl)ccc23)cc1 T16962
C[C@H](C[C@H](N)C(O)=O)C(O)=O T16963
CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1C T16964
CCCCCCN(C)Cc1ccc(OCCOc2ccc(CN(C)CCCCCC)cc2)cc1 T16965
Cc(cc1)ccc1C#Cc(s1)ccc1S(N[C@H](Cc1c[nH]c2c1cccc2)C(O)=O)(=O)=O T16966
COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12 T16967
CC(C)(C)OC(=O)NOCCOCCOCCN=[N+]=[N-] T16968
CC(C)(C)OC(=O)NOCCOCCOCCO T16969
Cc1cccc(C)c1NC(=O)C1CCCCN1 T1697
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCC#C T16970
COCCOCCOCCOCCOCCOCCOCCONC(=O)OC(C)(C)C T16971
CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O T16972
Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1 T16975
COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)c(F)c1 T16976
C[C@@H]1Cc2cc3OCOc3cc2C(=NN1C(C)=O)c1ccc(N)cc1 T16977
Cl.COc1ccccc1OCCN T1698
Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 T16980
Cn1c(ccc1-c1ccc2NC(=S)OC(C)(C)c2c1)C#N T16985
OC(=O)[C@@H](CSc1ccccc1)CC(=O)c1ccc(cc1)-c1ccc(Cl)cc1 T16986
O=C(CNC(=O)c1ccc(cc1)-c1ccccc1)NC1CCCc2ccccc12 T16987
Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1CN2CCC1CC2 T16990
Cl.NC(=N)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T16992
NC(=N)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T16993
CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O T16994
Cc1cc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)cc2cn(nc12)C(C)(C)C T16995
CC1=C[C@@H](Cn2c1c(-c1cnc3ccccc3c1)c1c(N)ncnc21)NC(=O)C=C T16996
Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C T16999
CCNCC(=O)Nc1c(C)cccc1C T1700
CCCCOC(=O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 T17001
CC(C)(C)[Si](C)(C)OCCOCCOCCOCCO T17003
O=C1OC(\C=C\c2ccccc2)=N/C/1=C/c1cccnc1 T17004
CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C T17005
FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F T17006
CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N T17007
C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 T17008
[O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12 T17009
C(=O)(C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)N)O T1701
Cn1c(nc2n(CC#Cc3cccc(O)c3)c(=O)n(C)c(=O)c12)S(C)(=O)=O T17010
NCCCNC(=O)OC1CCC\C=C/CC1 T17012
NCCCOCCOCCOCCCNC(=O)OC1CCC\C=C/CC1 T17013
O=C(OC1CCC\C=C\CC1)ON1C(=O)CCC1=O T17014
OC(=O)CCOCCOCCOCCOCCNC(=O)OC1CCC\C=C/CC1 T17015
O=C(O[C@H]1CCC/C([H])=C/CC1)NCCOCCOCCOCCOCCC(O)=O T17015L
Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1 T17018
Cl.O=C1CC2CCC(C1)N2 T1702
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3CN(C3)C3=NCCS3)=C(N2C1=O)C(O)=O T17021
CC(C)(C)C(CCc(cc1)ccc1Cl)(Cn1ncnc1)O T17022
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 T17023
CC(OC(=O)c1ccc(Cc2c(O[Na])c3ccccc3oc2=O)cc1)(C(F)(F)F)C(F)(F)F T17024
CC(OC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1)(C(F)(F)F)C(F)(F)F T17025
[H][C@]12C[C@@]1([H])[C@@]1([H])C=C[C@]2([H])[C@]2([H])C(=O)N(NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)[C@]12[H] T17026
O.FC(F)(F)c1ccc(cc1)C(=O)NN1C(=O)C2C(C3C=CC2C2CC32)C1=O T17026L
[H][C@]12CC[C@]([H])(C1)c1c2c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)C T17027
ONC(=O)CCCCCCC(=O)Nc1ccc(CN[C@H](C(=O)OC2CCCC2)c2ccccc2)cc1 T17028
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(O)cc12 T1703
CN(C)C(=O)c1cc(O[C@H]2CCOc3cc(F)cc(F)c23)c2nc(C)[nH]c2c1 T17030
[H][C@@]12CC[C@H]([C@H](C)C[C@H]3CC(=C)C(=O)O3)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T17031
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c(c1)-c1ccnn1C T17033
C\C(=C/c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C T17034
NC(=O)N1C(=O)\C(=C(/O)c2cccs2)c2cc(Cl)ccc12 T17036
CC[C@H](C)[C@@H]1NC(=O)C(C(C)=O)=C1O T17037
CCN(CC)C(=O)COC(=O)\C=C\C(=O)OC T17038
CC(C)(C)N\C(NC#N)=N\c1cccc(c1)C(=C/CCCC(O)=O)\c1cccnc1 T17039
COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 T1704
CCNc1nc(NC(C)(C)C)nc(SC)n1 T17040
CC(C)(C)NCC(O)COc1cccc2CCCSc12 T17041
OC(=O)Cc1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1 T17042
OCC(CO)(CO)NCCS(O)(=O)=O T17043
O=C(O)[C@@H](OCC)CC1=CC=C(OCCC2=CC=C(OS(=O)(C)=O)C=C2)C=C1 T17044
N#CCCOCC(COCCC#N)(COCCC#N)COCCC#N T17046
[H][C@]12CC(=O)[C@H](CC(C)C)CN1CCc1cc(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])cc21 T17047
CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T17048
CCOP(=O)(CCCCP(=O)(OCC)OCC)OCC T17049
NC(=O)c1nc[nH]c1N T1705
CCOP(=O)(NCCCCNP(=O)(OCC)OCC)OCC T17050
CCOP(=O)(CCCCCCCCCCP(=O)(OCC)OCC)OCC T17051
CCOP(=O)(CCCCCCCP(=O)(OCC)OCC)OCC T17052
CCOP(=O)(CCCCCCCCP(=O)(OCC)OCC)OCC T17053
COCCOCCOCCOCCO T17054
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCO T17055
CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1 T17056
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T17057
OCCOCCOC1CCCCO1 T17058
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O T17059
OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O T1706
OC(=O)Cc1ccc(cc1)-c1nncnn1 T17061
O=C(Cc1ccc(cc1)-c1nncnn1)ON1C(=O)CCC1=O T17062
O=C([C@@H](CC1)OC1=O)OCC2=CC=CC(C(F)(F)F)=C2 T17065
OCC12CO[C@@H](N1[C@@H](OC2)c1ccc(F)cc1)c1ccc(F)cc1 T17067
CN1COCN(Cc2cnc(Cl)s2)\C1=N\[N+]([O-])=O T17070
Nc1ccn([C@@H]2S[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 T17071
[Cl-].CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C T17073
OC(=O)CCOCCOCCOCCS T17074
CC(C)(C)OC(=O)CCOCCOCCOCCS T17075
OP(O)(=O)CCOCCOCCOCCS T17076
OC(=O)CCOCCOCCOCCOCCS T17077
CC(C)(C)OC(=O)CCOCCOCCOCCOCCS T17078
OCCOCCOCCOCCOCCOCCS T17079
c12c([nH]c(n1)c1ccc(cc1)OC)ccc(c2)C1=NNC(=O)CC1C T1708
OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCS T17080
OCCOCCOCCOC1CCCCO1 T17081
OCCOCCOCCOCCOC1CCCCO1 T17082
OCCOCCOCCOCCOCCOC1CCCCO1 T17083
OCCOCCOCCOCCOCCOCCOC1CCCCO1 T17084
OCCOCCOCCOCCOCCOCCOCCOCCOC1CCCCO1 T17085
OCCSSCCOC1CCCCO1 T17087
CC(C)(C)OC(=O)CCOCCSSCCOC1CCCCO1 T17088
Cc1ccc(cc1)S(=O)(=O)OCCSSCCOC1CCCCO1 T17089
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O T1709
Fc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O T17091
OC(COc1ccsc1)\C=C\C1C(O)CC(O)C1C\C=C\CCCC(O)=O T17092
[Na+].CCOc1cc2cc(sc2cc1OCC)C([O-])=O T17093
CC1(CC1)NC1=NS(=O)(=O)c2sc(Cl)cc2N1 T17094
COc1cc2c(c[nH]c2cc1Cl)[C@@H](C)CNC(C)=O T17095
O=C(O)CN1CCN([C@H](C2=CC=CC=C2)C3=CC=CC(C(F)(F)F)=C3)CC1 T17096
Cc1cc(Br)c(O)c2ncccc12 T17097
Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1 T17098
Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O[Na] T17099
Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(O)=O T1710
OC(=O)Cc1ccc2c(SCc3ccccc3C2=O)c1 T17101
Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 T17102
Cc1nn(c2N=C(O)CC(c12)c1ccc(F)cc1Cl)-c1ncnc2[nH]cnc12 T17103
Cn1c(N)c(C(=O)CSc2ccccn2)c(=O)n(C)c1=O T17105
Cc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccc(C)cc2C)cc1 T17108
COC(=O)c1ccccc1-c1c2ccc(cc2[o+]c2cc(ccc12)N(C)C)N(C)C T17109L
COc1ccc2c(c1)[nH]c1c(C)nccc21 T1711
[H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)NC(=O)CCl)[C@@]1(C)O[C@@H]1CC=C(C)C T17110
Cl.CCOC(=O)NNc1nncc2ccccc12 T17111
CCOC(=O)NNc1nncc2ccccc12 T17112
Cc1ccc(NC2=NCCN2)c(Cl)c1 T17113
COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O T17114
CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC T17115
O[C@@H]1C(C)(C)OC2=CC=C(C(C)=O)C=C2[C@@H]1NC(C3=CC(Cl)=C(F)C=C3)=O T17116
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 T17117
CN1CCC(CCCNc2ncc(-c3nc4cc(C)cc(C)c4[nH]3)c(C)n2)CC1 T17118
Cc1ccc(cc1)S(=O)(=O)OCCOCCC(=O)OC(C)(C)C T17120
Cc1ccc(cc1)S(=O)(=O)OCCOCC(=O)OC(C)(C)C T17121
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCC(=O)OC(C)(C)C T17122
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCC(=O)OC(C)(C)C T17123
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCC(O)=O T17124
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCC#C T17125
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCC(O)=O T17126
COC(=O)CCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T17127
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCC(O)=O T17128
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCO T17129
CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O T1713
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCC(=O)OC(C)(C)C T17130
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCC(=O)OC(C)(C)C T17131
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCC(O)=O T17132
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCC(=O)OC(C)(C)C T17133
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCOCCO T17138
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCO T17139
Cn1ncnc2c1nc(=O)n(C)c2=O T17142
Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T17143
CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F T17144
Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl T17145
CC1=NN(C(=O)\C1=N\Nc1cccc(-c2cccc(c2)-c2nnn[nH]2)c1O)c1ccc(C)c(C)c1 T17146
CCC(=O)N1CCOc2c(C1)cc(cc2C(=O)N[C@H]1CCCN(C)C1)-c1cc(OC)cc(OC)c1 T17147
OCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 T17149
N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O T1715
OCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 T17150
OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 T17151
OCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 T17152
Cc1ccc(C)c(N\C=C\C(=O)c2ccccc2)c1 T17157
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 T17158
CS(=O)(=O)OC[C@@H]([C@H](COS(=O)(=O)C)O)O T17159
CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O T17163
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC T17164
COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C T1717
C[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(O)=O T17171
ClCCN(CCCl)P1(=O)OCCCN1CCCl T17172
OC(=O)c1c2ssc2cccc1=O T17173
CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)CN T17174
Nc1ccn(C2CO[C@H](CO)O2)c(=O)n1 T17175
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O T17176
Cc1ccccc1C#Cc1ccc(CCC(O)=O)cc1 T17177
O=C(Nc1cccc(c1)C(=O)c1ccccc1)c1ccn2C(SCc12)c1cccnc1 T17178
Fc1cccc(CCn2nnc3cc4C(=O)N(COc4cc3c2=O)C2CC2)c1 T17179
Cc1n[nH]c(c1C)-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C T17180
COCc1nc([nH]c1-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C)C(F)(F)F T17181
CC(C)(C)C(=O)C(\NNc1ccc(Cl)cc1)=N\c1ccc(Cl)cc1 T17183
CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O)C(C)C T17185
Nc1nc(COC(=O)c2ccc(cc2)[N+]([O-])=O)nc(Nc2ccccc2)n1 T17187
C[C@H]1CN(C[C@@H](C)N1)C(=O)c1cc2c(ncn2c2ccc(Cl)cc12)C(=O)OC(C)(C)C T17188
[H][C@]12CO[C@]([H])(C1)[C@H](\C=C\[C@@H](O)CCCCC)[C@H]2C\C=C/CCCC(O)=O T17189
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 T1719
Cl.[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCCN(CC)CC T17190
CCCCc1cc(OC)c2ccccc2c1OC(C)=O T17191
[O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 T17192
N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O T17193
Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12 T17195
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 T17196
C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1 T17197
[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 T17198
O.[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1 T1720
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1 T17203
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 T17205
CC(C)N1CCC(CC1)N1CCCN(CC1)c1cccc(n1)C(=O)Nc1ccncc1 T17208
CCCCCOc1cc2c(cc1-c1cc(\C=C\C(O)=O)ccc1O)C(C)(C)CCC2(C)C T17209
Nc1c(CC(O)=O)cccc1C(=O)c1ccccc1 T1720L
OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O T1721
OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 T17210
Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1 T17211
[H][C@@]1(CO1)[C@H](O)[C@H](O)[C@]1([H])CO1 T17212
CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 T17213
C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C T17214
CCC(C)C(CC)C(N)=O T17215
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T17217
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccc2n1Cc1ccccc1 T17218
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 T17219
NC(=O)c1[nH]cnc1N T1722
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C#N)c(Cc2ccc(cc2)C2CC2)c1 T17221
CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F T17222
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 T17225
COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncc(F)cc12 T17226
Cl.COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC T17227
COc1cc(cc(OC)c1OC)C(=O)c1c[nH]c(n1)-c1c[nH]c2ccccc12 T17228
COc1ccc(cc1)N(C)c1nc(C)nc2ccccc12 T17229
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O T1723
COC(=O)[C@@H](N1CCc2sc(OC(C)=O)cc2C1)c1ccccc1Cl T17231
NCCOc1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 T17234
CCCCCCCCC1=CC(=CC=C1)NC(=O)[C@@H](COP(=O)(O)O)N T17237
CC1=C2C(SC(C(NCC3=CC=C(OC)C=C3)=O)=C2N)=NC(C)=C1 T17238
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 T17239
Sc1nc2nc(-c3ccccc3)c(nc2c(=O)[nH]1)-c1ccccc1 T1724
FC(F)(F)c1nn(CC(=O)N2CCCc3ccccc23)c2CCCCc12 T17240
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1 T17241
CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 T17242
Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 T17243
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c2c1C T17244
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F T17245
Cc1ccc(cc1C)-n1nc2CN(Cc2c1-n1cccc1)C(=O)c1cnccn1 T17246
FC1(F)CC(C1)NC(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12 T17248
Cl.Cl.C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 T1725
Cl.COc1ccc2CCCC(C(=O)N(Cc3ccc(cc3)N(C)C)c3ccc(cc3)C(C)C)c2c1 T17250
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 T17251
[H][C@@]12CCC[C@]1([H])c1cccc3CNCCN2c13 T17253
CNn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1 T17254
COc1ccccc1N1C(SCC1=O)c1cccc(c1)C(=O)NCCCCc1ccccc1 T17255
O=C(CCC(=O)c1ccc2OCCOc2c1)c1ccccc1 T17256
CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl T17257
NC1=NC(N)=NC(C)(C)N1OCCCOC2=CC(Cl)=C(Cl)C=C2Cl.[H]Cl T17257L
CCNS(=O)(=O)c1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1 T17258
CCOC(=O)c1ccc(cc1)-c1ccc(OC(=O)N(C)Cc2cccc(c2)-c2ccncc2)cc1 T17259
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCOc2c1 T1726
CN(Cc1cccc(c1)-c1ccncc1)C(=O)Oc1ccc(cc1)-c1ccc(cc1)C(N)=O T17260
Oc1ccc(\C=C(/[N+]#[C-])\C(=C\c2ccc(O)cc2)\[N+]#[C-])cc1 T17261
Cl.Cl.O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc12 T17262
CCCCCN1C(=O)C2(COc3cc4OCOc4cc23)c2ccccc12 T17263
CCOC(Nc1ccc(cc1)C(O)=O)C(=O)c1ccc(cc1)-c1ccccc1 T17264
CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCc1ccc(\C=N\NO)cc1 T17265
Cc1cccc(C)c1NC(=O)c1cc(c(Cl)cc1O)S(N)(=O)=O T17266
CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C3CC3)cc(n2)N2CCN(C)CC2)on1 T17267
CC(=O)N(O)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N T17268
CC(=O)N(OCc1ccccc1)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N T17269
S=C(NNc1ccccc1)NC1CCCCC1 T1727
COc1cc(C[C@@H]2[C@@H](Cc3ccc4OCOc4c3)COC2=O)cc(OC)c1OC T17270
CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1 T17275
OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccnc1 T17276
CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN1CCCCC1 T17277
COc1cccc(CNn2cnnc2S)c1OCC=C T17278
O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1 T17279
C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T17280
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O T17281
C(Cc1ccc2OCOc2c1)N1CCC[C@H](C1)OC(c1ccccc1)c1ccccc1 T17283
COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 T17284
OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(Cl)cc2CC(C)(C)Oc12 T17285
COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)C(O)=O)cc1 T17287
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F T17288
COc1cc(c2C(=O)CC(Oc2c1)c1cc(c(c(c1)OC)OC)OC)OC T1729
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12 T17291
OC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1O T17293
Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O T17294
CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 T17295
COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N T17296
[H][C@@]1(CCCO1)[C@@H](Cc1ccccc1)NCC T17298
CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23 T17299
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N T1730
C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cncc(n1)N1CCN(CC1)c1ccccn1 T17300
CC\C=C\C=C/CCCCCCCCOC(C)=O T17302
OC[C@H](Nc1cncc(c1)-c1ccc2[nH]ncc2c1)c1ccccc1 T17305
Cl.NC[C@H](CC(O)=O)c1ccc(Cl)cc1 T17306
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T17307
NC(=O)CN1C[C@H](O)CC1=O T17308
CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O T17309
Cl.COC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1ccc(C)cc1 T1731
CNC[C@H](O)c1cccc(O)c1 T17310
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCC#C)c1nnc(C)n-21)c1ccc(Cl)cc1 T17311
[H][C@@]12N(C)CC[C@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C T17312
Fc1ccc(NC(=O)[C@@H]2[C@H](N(CC(F)(F)F)C(=O)c3ccccc23)c2cccnc2)cc1C#N T17313
Cc1nc2ccccc2c(-c2ccc3OCCCc3c2)c1C(OC(C)(C)C)C(O)=O T17314
Fc1ccc(C2=NOC(CC(=O)N3CCOCC3)C2)c(F)c1 T17315
O=C(CCCCC1CCSS1)ON1C(=O)CCC1=O T17316
FC(F)(F)COCCOCCOCC#C T17317
FC(F)(F)COCCOCCOCCOCCOCC#C T17318
ICCOCCOCCI T17319
Cl.NNC(N)=O T1732
OC(=O)CCOCC(COCCC(O)=O)(COCCC(O)=O)COCCC(O)=O T17320
CC1(C)N(Br)C(=O)N(Br)C1=O T17321
C[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SC(C)C)COC(C)=O)OC(C)=O)OC(C)=O T17322
NCCCCCCCCCCC(O)=O T17323
OC(=O)CCCCCCCCCCN1C(=O)C=CC1=O T17324
CC(=O)OCC1OC(Br)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O T17326
CC(C)(Br)C(=O)NCCOCCOCCOCCC(O)=O T17329
OC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O T1733
OC(=O)CON1C(=O)c2ccccc2C1=O T17330
OC(=O)CCOCCOCCOCCOCCSSc1ccccn1 T17331
Cc1nnc(nn1)-c1ccc(O)cc1 T17333
CSSC(C)(C)CCC(O)=O T17334
OC(CCC(C)(C)SSC1=CC=CC=N1)=O T17335
CC(C)(C)OC(=O)NC(CCC(O)=O)CCC(O)=O T17336
Fc1c(F)c(C(=O)ON2C(=O)CCC2=O)c(F)c(F)c1N=[N+]=[N-] T17337
OC(=O)Cn1cnc2ccccc2c1=O T17338
COCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C T1734
OC(=O)CCCCNC(=O)OCC1C2CCC#CCCC12 T17340
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O T17341
O[C@H](COCC#C)[C@H](O)[C@H](O)[C@@H](O)C=O T17342
OC(=O)CCCCCC#C T17345
OCCCCCCCCC#C T17346
O=C(N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)CCC#C T17347
CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](NC(=O)CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O T17348
CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](NC(=O)CCC#C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O T17349
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 T1734L
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCC(O)=O T17352
CC(C)[C@@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O T17356
C=CC(OCCOCCN)=O.[n].[MW T17358
C=CC(OCCOCCN)=O.[n].[MW T17359
COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O T1736
C=CC(OCCOCCO)=O.[n].[MW T17360
C=CC(OCCOCCO)=O.[n].[MW T17361
C=CC(OCCOCCO)=O.[n].[MW T17362
O=C1C=C(C2=CC=C(CO)C=C2)OC3=C1C4=CC=CC=C4C=C3 T17363
NCCOCCOCCOCC1=CC=C(C2=CC(C3=C(O2)C=CC4=CC=CC=C34)=O)C=C1 T17364
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CO)cc1 T17365
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCC=O T17367
O=C(NCCOCCOCCOCCN=[N+]=[N-])C1=CC=C(C=C1)C=O T17368
Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O T1737
O=Cc1ccc(cc1)C(=O)NCCOCCOCCOCCOCC#C T17371
O=Cc1ccc(cc1)C(=O)ON1C(=O)CCC1=O T17372
CC(C)(C)OC(=O)CCOCCOc1ccc(C=O)cc1 T17374
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOc1ccc(C=O)cc1 T17377
[O-][N+](=O)OCCNC(=O)c1ccc(C=O)cc1 T17378
O=Cc1ccc(cc1)C(=O)NCCOCCC(=O)ON1C(=O)CCC1=O T17379
O[C@@H]1C(Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 T1738
Fc1c(F)c(F)c(OC(=O)CCOCCNC(=O)c2ccc(C=O)cc2)c(F)c1F T17380
Fc1c(F)c(F)c(OC(=O)CCOCCOCCNC(=O)c2ccc(C=O)cc2)c(F)c1F T17381
OCCOCCNC(=O)c1ccc(C=O)cc1 T17382
OC(=O)COCCOCCOCCNC(=O)c1ccc(C=O)cc1 T17383
CC(C)(C)OC(=O)COCCOCCOCCNC(=O)c1ccc(C=O)cc1 T17384
C#CCOCCOCCOCCOCCSSCCOCCOCCOCCOCC#C T17386
CC(C)(C)OC(=O)NCCCn1cnc(CN)c1 T17388
O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T17389
C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 T1739
NCCOCCN.[MW T17390
NCCOCCN.[MW T17391
NCCOCCN.[MW T17392
NCCOCCN.[MW T17393
NCCOCCN.[MW T17394
NCCOCC(O)=O.[n].[MW T17395
NCCOCC(O)=O.[n].[MW T17396
NCCOCCS.[n].[MW T17398
NCCOCCS.[n].[MW T17399
Br.Br.CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1 T1740
NCCOCCS.[n].[MW T17400
Oc1[nH]c2ccc(cc2c1-c1ccc(CN2CCOCC2)cn1)C#N T1741
OC(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 T1742
NCCOCCOCCOCCSSCCC(O)=O T17427
NCCOCCOCCOCCOCCC(=O)OCc1ccccc1 T17434
NCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T17440
NCCOCCOCCOCCOCCOCCOCCOCCOCCO T17441
NOCC(=O)NCCOCCOCCOCCOCC#C T17445
NOCCOCCO.[n].[MW T17446
NOCC(=O)NCCOCCOCCOCCN=[N+]=[N-] T17447
NCCOCCOCCOCCOCCC(NC1=CC=C(C#CC#N)C=C1)=O.[H]Cl T17449
COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)-n1cccn1 T1745
[N-]=[N+]=Nc1ccc(cc1)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 T17455
OCCOCCN=[N+]=[N-].[n].[MW T17456
NCCOCCN=[N+]=[N-].[MW T17457
NCCOCCN=[N+]=[N-].[n].[MW T17458
NCCOCCN=[N+]=[N-].[n].[MW T17459
[N-]=[N+]=NCCOCCN=[N+]=[N-].[n].[MW T17460
[N-]=[N+]=NCCOCCN=[N+]=[N-].[n].[MW T17461
[N-]=[N+]=NCCOCCN=[N+]=[N-].[n].[MW T17462
[N-]=[N+]=NCCOCCN=[N+]=[N-].[n].[MW T17463
CS(=O)(=O)OCCOCCN=[N+]=[N-] T17467
OC(=O)[C@@H](COCCOCCOCCN=[N+]=[N-])NC(=O)OCC1c2ccccc2-c2ccccc12 T17468
[N-]=[N+]=NCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCN=[N+]=[N-] T17469
Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](CO)OC1=O T1747
[N-]=[N+]=NCCOCCN=[N+]=[N-] T17476
ClC(=O)COCCN=[N+]=[N-] T17477
OC([C@H](CCCNC(N)=O)NC([C@@H](C(C)C)NC(CCOCCN=[N+]=[N-])=O)=O)=O T17478
[Na+].[Na+].Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1CC(COP([O-])([O-])=O)OC1=O T1747L
OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1 T1748
CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1cc(ccc1Cl)[N+]([O-])=O T1749
[N-]=[N+]=NCCOCCOCCN=[N+]=[N-] T17492
O=C(OC(C)(C)C)CCOCCOCCN=[N+]=[N-] T17493
CCOC(=O)c1ccc(OCCC2CCN(CC2)c2ccc(C)nn2)cc1 T1750
CCO[Si](CCCNC(=O)CCOCCOCCOCCN=[N+]=[N-])(OCC)OCC T17500
[N-]=[N+]=NCCOCCOCCOCCN=[N+]=[N-] T17501
[N-]=[N+]=NCCOCCOCCOCCSCCOCCOCCOCCN=[N+]=[N-] T17502
[N-]=[N+]=NCCOCCOCCOCCSCCOCCOCCOCCOCC#C T17503
O=C(ON1C(CCC1=O)=O)CCSSCCOCCOCCOCCN=[N+]=[N-] T17505
[N-]=[N+]=NCCOCCOCCOCCSSC1=NC=CC=C1 T17506
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 T1751
[N-]=[N+]=NCCOCCOCCOCCOCCC#N T17514
[N-]=[N+]=NCCOCCOCCOCCOCCOCCN=[N+]=[N-] T17515
O=C(NCCOCCOCCOCCOCCOCCN=[N+]=[N-])CCN1C(C=CC1=O)=O T17516
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T17518
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T17519
FC(F)(F)c1cccc(CN2C(=O)CSc3ccccc23)c1 T1752
NNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T17520
OCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T17521
OC(=O)CCSSCCN=[N+]=[N-] T17524
[N-]=[N+]=NCCSSCCC(=O)ON1C(=O)CCC1=O T17525
[H][C@@]12CCC#CCC[C@]1([H])[C@H]2COC(=O)NCCOCCOCCOCCN T17526
COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1 T1753
[H][C@]12[C@](CCC#CCC2)([H])[C@@H]1COC(NCCOCCOCCOCCNC(CON)=O)=O T17530
[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCOCCC(O)=O T17533
[H][C@@]12[C@@](CCC#CCC2)([H])[C@H]1COC(NCCOCCOCCOCCOCC#C)=O T17534
[H][C@@]12[C@@](CCC#CCC2)([H])[C@H]1COC(NCCOCCOCCOCCOCCC(NN)=O)=O T17535
[H][C@]12[C@](CCC#CCC2)([H])[C@@H]1COC(NCCOCCOCCOCCO)=O T17537
[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCSSCCN T17539
COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC T1754
O=C(NCCSSCCC(ON1C(CCC1=O)=O)=O)OC[C@H]2[C@@]3([H])CCC#CCC[C@@]23[H] T17540
[N-]=[N+]=NCCOCCOCCOCCOc1ccc(C=O)cc1 T17541
[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(O)=O)[C@@]1([H])NC(=O)N2 T17548
O=C(NCCN)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O T17549
NCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O.[n].[MW T17550
NCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O.[n].[MW T17551
O=C(NCCOCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O)CCCC[C@@H]3SC[C@]([C@]3([H])N4)([H])NC4=O.[n].[MW T17552
O=C(NCCC[Si](OCC)(OCC)OCC)NCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O.[n].[MW T17553
O=C(NCCC[Si](OCC)(OCC)OCC)NCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O.[n].[MW T17554
O=C(NCCC[Si](OCC)(OCC)OCC)NCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O.[n].[MW T17555
[Na+].COc1ccnc(CS(=O)c2nc3ccc(cc3[n-]2)-n2cccc2)c1C T1756
O=C(NCCOCCOCCC=O)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O T17563
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCC=O)[C@@]1([H])NC(=O)N2 T17564
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCN=[N+]=[N-])[C@@]1([H])NC(=O)N2 T17566
O=C(NCCOCCO)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O T17567
COc1ccnc(CS(=O)c2nc3ccc(cc3[nH]2)-n2cccc2)c1C T1756L
CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 T1757
OCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12 T17575
COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1 T1758
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])[C@@]1([H])NC(=O)N2 T17583
CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O T1759
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O T1760
COCCOCCOCCOCCN(O)CCOCCOCCOCCOC T17601
Cl.COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC T1761
O=C(OC1=C(F)C(F)=CC(F)=C1F)COCCOCC(OC2=C(F)C(F)=CC(F)=C2F)=O.[n].[MW T17611
Nc1cc(F)ccc1NC(=O)\C=C\c1cnn(C\C=C\c2ccccc2)c1 T1762
O=C(ON1C(CCC1=O)=O)CCOCCOC(ON2C(CCC2=O)=O)=O.[25] T17627
Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2nccnc2c1)C(C)(C)C T1763
C#CCOCCOCC#C.[17] T17632
O=C1C=CC(=O)N1CCOCCOCCOCCN1C(=O)C=CC1=O T17637
CC(C)(C)OC(=O)NCCCCCCCCCCC(O)=O T17638
OC(CCSSCCOCCOCCOCCNC(OC(C)(C)C)=O)=O T17639
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 T1764
CC(OC(NCCOCCOCCOCCSSC1=CC=CC=N1)=O)(C)C T17640
CC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCOCCOCC#C T17641
CC(C)(C)OC(=O)NOCCOCCOCCBr T17642
CC(C)(C)OC(=O)COCCOCCOCCOCCONC(=O)OC(C)(C)C T17643
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCN T17644
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCC(O)=O T17645
CC(C)(C)OC(=O)COCCOCCOCCCCCCOCc1ccccc1 T17646
CC(C)(C)OC(=O)COCCOCCOCCCCCCO T17647
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O T17648
CC(C)(C)OC(=O)NCCCC(O)=O T17649
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOS(C)(=O)=O T17650
CC(C)(C)OC(=O)NCCOCCOS(C)(=O)=O T17651
CC(C)(C)OC(=O)NCCCCCCCCCCCCN T17652
CC(C)(C)OC(=O)NCCCCC(O)=O T17653
CC(C)(C)OC(=O)NCCCCCCBr T17654
CC(C)(C)OC(=O)NOCC(=O)ON1C(=O)CCC1=O T17655
NCCOCCNC(OC(C)(C)C)=O.[n].[MW T17656
NCCOCCNC(OC(C)(C)C)=O.[n].[MW T17657
NCCOCCNC(OC(C)(C)C)=O.[n].[MW T17658
CC(C)(C)OC(=O)NCCO T17659
[C@@H]1(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@H](c2ccc(Cl)c(Cc3ccc(cc3)O[C@H]3CCOC3)c2)O1 T1766
CC(C)(C)OC(=O)NCCOc1ccc(OCC(O)=O)cc1 T17660
CN(C)CCNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O T1767
CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T17677
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN T17679
CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1 T1768
CC(C)(C)OC(=O)NCCOCCOCCOCCOS(C)(=O)=O T17680
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCC(O)=O T17681
CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T17686
OC(C1=CC=C(C#CC2CCN(C(OC(C)(C)C)=O)CC2)C=C1)=O T17689
CN1CCN(CC1)c1cccc2[nH]c(=O)oc12 T1769
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O T17691
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 T17693
COC(=O)CCCCCCCCCCBr T17694
BrCCOCCOCCOCCOCCOCCOCCOCCBr T17695
COc1cc(cc(OC)c1CN1CCNCC1)-c1cn(C)c(=O)c2cnccc12 T17696
CN1C=C(C2=CC(OC)=C(CN3CCNCC3)C(OC)=C2)C(C=CN=C4)=C4C1=O.Cl.Cl T17697
BrCCOCCN=[N+]=[N-] T17698
CNc1nc(Nc2cnn([C@H]3CCN(C[C@@H]3F)C3COC3)c2Cl)ncc1C(F)(F)F T1770
BrCC(=O)NCCOCCOCCOCC#C T17700
CCOP(=O)(NCCCCCCNP(=O)(OCC)OCC)OCC T17707
OC(COCCOCC(O)=O)=O.[n].[MW T17709
OC(=O)CCOCCNC(=O)OCc1ccccc1 T17716
OC(=O)COCCNC(=O)OCc1ccccc1 T17717
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl T1772
OC(=O)COCCOCCNC(=O)OCc1ccccc1 T17720
OC(=O)COCCOCCOCCNC(=O)OCc1ccccc1 T17722
OC(=O)COCCOCCOCCOCCOCCNC(=O)OCc1ccccc1 T17724
OC(=O)CCCCCOCCOCCOCCOCCCCCCCl T17729
C\C(\C=C\C1=C(C)\C(\CCC1(C)C)=N\O)=C/C=C/C(/C)=C/C(O)=O T17733
O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1 T1774
Fc1c(F)c(F)c(OC(=O)COC2CCCCCC#C2)c(F)c1F T17740
OCCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17743
O=C(CCC(NCCOCCOC)=O)N1CC2=CC=CC=C2C#CC3=C1C=CC=C3.[n].[MW T17749
O=C(CCC(NCCOCCOC)=O)N1CC2=CC=CC=C2C#CC3=C1C=CC=C3.[n].[MW T17750
O=C(CCC(NCCOCCOC)=O)N1CC2=CC=CC=C2C#CC3=C1C=CC=C3.[n].[MW T17751
O=C(CCC(NCCOCCOC)=O)N1CC2=CC=CC=C2C#CC3=C1C=CC=C3.[n].[MW T17752
O=C(CCC(NCCOCCOC)=O)N1CC2=CC=CC=C2C#CC3=C1C=CC=C3.[n].[MW T17753
CC(C)(C)OC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17754
OC(=O)CCCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17755
O=C(N1C2=CC=CC=C2C#CC3=CC=CC=C3C1)CCNC(CCOCCOCCN)=O T17763
O=C(N1CC2=C(C#CC3=C1C=CC=C3)C=CC=C2)CCNC(CCOCCOCCC(O)=O)=O T17765
O=C(CCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)ON1C(=O)CCC1=O T17775
OC(=O)CCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17776
NCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17777
CC(C)(C)OC(=O)NCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17778
Cl.Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 T1778
OCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17780
OC(=O)CCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17785
NCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T17786
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl T1779
CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1 T1780
[Na+].CCC(=O)[N-]S(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1 T1780L
OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 T1781
O=C(N1C2=CC=CC=C2C#CC3=CC=CC=C3C1)CCC(NCCSSCCN)=O T17812
NCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T17818
NCCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T17819
c1(c2ccc(F)cc2)sc(cc1)Cc1c(C)ccc(c1)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 T1782
O=C(CCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T17821
Cc1ccc(cc1)S(=O)(=O)OCCOCCOS(=O)(=O)c1ccc(C)cc1 T17823
Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F T1783
O=C1N(OCCOCCO)C(C2=C1C=CC=C2)=O.[n] T17830
O=C1N(OCCOCCOC)C(C2=C1C=CC=C2)=O.[n] T17831
CN(C)C(=O)c1ccc(SSCCCC(O)=O)nc1 T17835
CC(CCC(=O)ON1C(=O)CCC1=O)SSc1ccncc1C(=O)N(C)C T17836
CCCCCCCCCCCCCCCCCC(OCC(COP(OCCNC(OCCOCC(NCCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=O)=O)(O)=O)OC(CCCCCCCCCCCCCCCCC)=O)=O.[n].[MW T17847
CCCCCCCCCCCCCCCCCC(OCC(COP(OCCNC(OCCOCCN)=O)(O[Na])=O)OC(CCCCCCCCCCCCCCCCC)=O)=O.[n].[MW T17848
CCCCCCCCCCCCCCCCCC(OCC(COP(OCCNC(OCCOCCN)=O)(O[Na])=O)OC(CCCCCCCCCCCCCCCCC)=O)=O.[n].[MW T17849
c1(nc2c(cn1)c(c(c(=O)n2C1CCCC1)C(=O)C)C)Nc1ccc(cn1)N1CCNCC1 T1785
OC(COCCOC(NCCOP(OC[C@@](OC(CCCCCCCCCCCCCCCCC)=O)([H])COC(CCCCCCCCCCCCCCCCC)=O)([O-])=O)=O)=O.[MW T17851
OC(COCCOC(NCCOP(OC[C@@](OC(CCCCCCCCCCCCCCCCC)=O)([H])COC(CCCCCCCCCCCCCCCCC)=O)([O-])=O)=O)=O.[MW T17852
CCCCCCCCCCCCCCCCCC(O[C@](COP(OCCNC(COCCOCCNC(CCN1C(C=CC1=O)=O)=O)=O)([O-])=O)([H])COC(CCCCCCCCCCCCCCCCC)=O)=O.[MW T17853
_______smiles T17854
CCCCN1CCCC[C@H]1C(Nc2c(C)cccc2C)=O T1787
NCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T17875
CC(=O)N[C@@H](CSc1nc2c([nH]c(N)nc2=O)n1Cc1ccc(Cl)cc1)C(O)=O T17876
O=C(C(N(CC1=C2C=CC=C1CCCCN)C2=O)CC3)NC3=O.Cl T17878
CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)=O T17880
NCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T17883
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]2CC[C@]3([C@H]([C@@H]2[C@@H]1O)CC[C@@H]3[C@H](C)CCC(=O)O)C)C)O T1789
[N-]=[N+]=NCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T17904
OC(=O)CCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T17914
NCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T17916
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 T1792
NCCCCCc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O T17928
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(cc2)-n2cnnn2)cs1 T1793
OC(C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)=O T17931
O=C(CCOCCOCCNC(=O)OCC1C2CCC#CCCC12)ON1C(=O)CCC1=O T17934
[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCN T17936
O=C(CCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12)ON1C(=O)CCC1=O T17937
O=C(N)CO/N=C1CC[C@]2([H])[C@]\1(C)CC[C@@]3([H])[C@@]2([H])CCC4=C3C=CC(O)=C4 T17940
[H][C@@]12CCC#CCC[C@]1([H])[C@H]2COC(=O)Oc1ccc(cc1)[N+]([O-])=O T17942
O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)NOCC(OC4=C(F)C(F)=C(F)C(F)=C4F)=O T17949
NC(=O)[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12 T17950
OC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc12 T17952
OC(COCCNC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O)=O.[n].[MW T17957
OC(COCCNC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O)=O.[n].[MW T17958
NCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T17972
OCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12 T17974
OP(O)(=O)OCCNC(=O)OCC1c2ccccc2-c2ccccc12 T17977
OCc1ccc(s1)-c1ccc(o1)-c1ccc(CO)s1 T1798
[H][C@@]12CCC#CCC[C@]1([H])C2COC(=O)NCCCOCCOCCOCCCNC(=O)CN T17989
NCCOCCOCCOCCOCCC(=O)NN T17991
O=C(CCOCCOCCOCCOCCOCCN)NN T17992
O=C(CCOCCOCCOCCOCCOCCOCCN)NN T17993
O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCN)NN T17994
OCCOCCN.[n].[MW T17997
OCCOCCN.[n].[MW T17998
OCCOCCN.[n].[MW T17999
O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 T1800
OCCOCCN.[n].[MW T18000
OCCOCCN.[n].[MW T18001
OCCOCC(O)=O.[n].[MW T18002
OCCOCC(O)=O.[n].[MW T18003
OCCOCCNC(CCN1C(C=CC1=O)=O)=O.[n].[MW T18004
OCCOCCNC(CCN1C(C=CC1=O)=O)=O.[n].[MW T18005
OCCOCCC(OCC1=CC=CC=C1)=O T18006
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO T18010
O=C(CCOCCOCCOCCOCCO)OCC1=CC=CC=C1 T18015
OCCOCCOCCOCCOCCOCCOCC(O)=O T18016
OCCOCCOCCOCCOCCOCCOCCOCCOCC(O)=O T18017
CC(C)(C)c1ccc(cc1)-c1nc2ccccc2[nH]1 T1802
SCCOCCOCCOCCN=[N+]=[N-] T18023
NCCOCCOCCOCCS T18024
SCCOCCOCCOCCOCCOCCN=[N+]=[N-] T18025
NCCOCCOCCOCCOCCOCCS T18026
SCCOCCOCCOCCOCCOCCOCCOCCC(O)=O T18027
SCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T18028
SCCOCCOCCOCCOCCOCCOCCOCCN T18029
OCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 T1803
Fc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1 T1804
COC(=O)CCOCCOCCOCCOCCO T18043
OCCOCCOCCOCCOCCC#N T18044
OCCOCCOCCOCCOCCOCCOCCOCCC(OC(C)(C)C)=O T18045
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCOCCO T18046
O=C(OC(C)(C)C)COCCOCCOCCOCCOCCOCCOCCOCCO T18047
C/C(C)=N/NC(N=C1)=CC=C1C(NCCOCCOCCOCCN=[N+]=[N-])=O T18048
OC(=O)c1cccc(c1)-c1noc(n1)-c1ccccc1F T1805
ICC(=O)NCCOCCOCCOCCN=[N+]=[N-] T18052
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CN)c3ccc(Cl)cc3)c12 T18053
OC(CC1c2ccccc2-c2cncn12)C1CCCCC1 T1806
O=C1N(C2C(NC(CC2)=O)=O)CC3=C1C=CC=C3C#CCCCCCC(O)=O T18063
Brc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O T18064
O=C(C(N(CC1=C2C=CC=C1CCCCCCCCCC=O)C2=O)CC3)NC3=O T18065
Oc1ccc2C(=O)N(Cc2c1)C1CCC(=O)NC1=O T18066
[N-]=[N+]=NCCOCC(=O)Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O T18067
O=C1C2=C(CN1C3C(NC(CC3)=O)=O)C(C#CCCCNC(C4=CC=C(C=C4)N)=O)=CC=C2.[H]Cl T18069
COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCOCC1 T1807
O=C(C(N(CC1=C2C=CC=C1C#CCCCN)C2=O)CC3)NC3=O.Cl T18070
C=CC(OCCOCCOC)=O.[n].[MW T18077
C=CC(OCCOCCOC)=O.[n].[MW T18078
C=CC(OCCOCCOC)=O.[n].[MW T18079
CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)c3NCCCc3c2c1 T1808
C=CC(OCCOCCOC)=O.[n].[MW T18080
COCCOCCON.[n].[MW T18081
COCCOCCN=[N+]=[N-].[n].[MW T18082
COCCOCCN=[N+]=[N-].[n].[MW T18083
COCCOCCN=[N+]=[N-].[n].[MW T18084
COCCOCCN=[N+]=[N-].[n].[MW T18085
COCCOCCCC=O.[n].[MW T18086
OC(COCCOC)=O.[n].[MW T18087
OC(COCCOC)=O.[n].[MW T18088
OC(COCCOC)=O.[n].[MW T18089
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c1 T1809
COCCOCCOC(NCCCC[C@H](NC(OCCOCCOC)=O)C(ON1C(CCC1=O)=O)=O)=O.[n].[n].[MW T18090
COCCOCCOC(NCCCC[C@H](NC(OCCOCCOC)=O)C(ON1C(CCC1=O)=O)=O)=O.[n].[n].[MW T18091
COCCOCCNC(CCN1C(C=CC1=O)=O)=O.[n].[MW T18092
COCCOCCNC(CCN1C(C=CC1=O)=O)=O.[n].[MW T18093
COCCOCCNC(CCN1C(C=CC1=O)=O)=O.[n].[MW T18094
COCCOCCNC(CCN1C(C=CC1=O)=O)=O.[n].[MW T18095
COCCOCCNC(CCN1C(C=CC1=O)=O)=O.[n].[MW T18096
NCCOCCOC.[n].[MW T18097
NCCOCCOC.[n].[MW T18098
NCCOCCOC.[n].[MW T18099
NCCOCCOC.[n].[MW T18100
NCCOCCOC.[n].[MW T18101
COCCOCC(ON1C(CCC1=O)=O)=O.[MW T18102
COCCOCC(ON1C(CCC1=O)=O)=O.[MW T18103
COCCOCC(ON1C(CCC1=O)=O)=O.[MW T18104
COCCOC(OC1=CC=C([N+]([O-])=O)C=C1)=O.[n].[MW T18105
COCCOCCO.[n].[MW T18106
O=C(ON1C(CCC1=O)=O)CCC(OCCOCCOC)=O.[n].[MW T18107
COCCOCCS.[MW T18108
COCCOCCS.[MW T18109
COCCOCCS.[MW T18110
COCCOCCS.[MW T18111
COCCOCCOS(C1=CC=C(C)C=C1)(=O)=O.[MW T18112
COCCOS(CCC(F)(F)F)(=O)=O.[n].[MW T18113
COCCOCCNC(NCCC[Si](OCC)(OCC)OCC)=O.[n].[MW T18114
COCCOCCNC(NCCC[Si](OCC)(OCC)OCC)=O.[n].[MW T18115
COCCOCCNC(NCCC[Si](OCC)(OCC)OCC)=O.[n].[MW T18116
Oc1cccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)c1 T1812
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS T18122
OC(=O)CC1CC(=NO1)c1ccccc1 T1813
Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O T1814
Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 T1815
Clc1ccc(N\N=C(\c2ccccc2)c2ccccn2)nc1 T1816
COCCOCCBr T18161
NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 T1817
CCO[Si](CCCNC(=O)CCOCCOCCOC)(OCC)OCC T18177
COCCOCCOCCC(=O)NN T18178
O=C1C=CC(N1CCC(NCCOCCOCCOC)=O)=O T18179
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 T1818
O=C(OC(C)(C)C)CCOCCSCCOCCOCCOC T18180
COCCOCCOCCSCCOCCOCCO T18181
COCCOCCOCCSCCOCCOCCOCCC(=O)OC(C)(C)C T18182
COCCOCCOCCSCCOCCOCCOCCOCC#C T18183
COCCOCCOCCS T18184
COCCOCCOCCS(=O)(=O)CCOCCOCCOCCC(O)=O T18185
COCCOCCOCCS(=O)(=O)CCOCCOCCOCCN=[N+]=[N-] T18186
COCCOCCOCCS(=O)(=O)CCOCCOCCOCCC(=O)OC(C)(C)C T18187
COCCOCCOCCS(=O)(=O)CCOCCOCCO T18188
COCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCC#C T18189
CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 T1819
Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1 T1820
COCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12 T18200
COCCOCCOCCOCCP(O)(O)=O T18201
COCCOCCOCCOCCS T18202
COCCOCCOCCOCCOCCC(=O)NN T18209
CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCOC)(OCC)OCC T18210
COCCOCCOCCOCCOCCOCCC(=O)NN T18211
COCCOCCOCCOCCOCCOCCOS(C)(=O)=O T18212
COCCOCCOCCOCCOCCOCCOCCO T18214
COCCOCCOCCOCCOCCOCCOCCBr T18215
NNC(CCOCCOCCOCCOCCOCCOCCOC)=O T18216
COCCOCCOCCOCCOCCOCCOCCOCCC(OC(C)(C)C)=O T18217
Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1 T1822
COCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCC(O)=O T18221
COCCOCCOCCOCCOCCOCCOCCOCCOCC#C T18222
OC(CCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O T18223
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)=O T18226
NNC(CCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O T18227
COCCOCCOCCOCCOCCOCCOCCOCCOCCS T18229
Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1 T1822L
OC(=O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O T1823
COC(=O)[C@H]1O[C@@H](Oc2ccc(CO)cc2N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O T18231
OC(=O)CN(CC(O)=O)C(=O)CCN1C(=O)C=CC1=O T18232
O=C(CCN1C(=O)C=CC1=O)NCCOCCC(=O)ON1C(=O)CCC1=O T18233
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 T1824
OC(=O)C(F)(F)F.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 T18245
NCCNC(CNC(CNC(CNC(CCN1C(C=CC1=O)=O)=O)=O)=O)=O T18247
O=C(CCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T18248
C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2[nH]cnc12 T1825
CC(C)(C)OC(=O)NC[C@H](N1C(=O)C=CC1=O)C(O)=O T18252
Fc1c(F)c(F)c(OC(=O)CCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)c(F)c1F T18257
O=C(CCN1C(C=CC1=O)=O)NCCOCCNC(CCN2C(C=CC2=O)=O)=O.[n].[MW T18263
O=C(CCN1C(C=CC1=O)=O)NCCOCCNC(CCN2C(C=CC2=O)=O)=O.[n].[MW T18264
O=C(CCN1C(C=CC1=O)=O)NCCOCCNC(CCN2C(C=CC2=O)=O)=O.[n].[MW T18265
O=C1C=CC(N1CCC(NCCOCCOCCCCC(ON2C(CCC2=O)=O)=O)=O)=O.[n].[MW T18266
O=C1C=CC(N1CCOCCC(N[C@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(O)=O)=O)=O)=O T18267
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F T1827
CC(C)(C)OC(=O)CCOCCOCCN1C(=O)C=CC1=O T18276
NOCCOCCOCCN1C(=O)C=CC1=O T18277
Cc1ccc(cc1)-c1csc2ncnc(SCCC(O)=O)c12 T1828
O=C(NCCOCCC(ON1C(CCC1=O)=O)=O)CCN2C(C=CC2=O)=O.[24] T18281
O=C1C=CC(=O)N1CCOCCOCCOCCOCC#C T18288
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 T1829
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O T18295
O=C1C=CC(=O)N1CCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O T18296
O=C(C=C1)N(CCOCCOCCOCCOCCOCCOCCN2C(C=CC2=O)=O)C1=O T18297
OCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O T18298
OC([C@H](CCCNC(N)=N)NC([C@H](C(C)C)NC(CCCCN1C(C=CC1=O)=O)=O)=O)=O T18307
OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O T18308
O=C(O)[C@H](CCCNC(N)=N)NC([C@H](C(C)C)NC(CCCCCN(-;@C1=O)-;@C(-;@C=;@C-;@1)=O)=O)=O T18309
CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)-c1csc2ccccc12 T1831
Cl[Si](C(C)C)(OCCCCCN1C(C=CC1=O)=O)C(C)C T18313
O=C(CCCCCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O T18314
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F T1832
CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 T1833
NCCOCCOCCOCCNC(OCC1C(C)=C1)=O T18335
CC1=CC1COC(NCCOCCOCCOCCOCCC(ON2C(CCC2=O)=O)=O)=O T18336
Cc1nnc(nn1)-c1ccc(CNC(=O)CCOCCOCCOCCOCCOCC#C)cc1 T18337
CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1 T1834
Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCOCCC(O)=O)cc1 T18348
Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCNC(=O)OC(C)(C)C)cc1 T18349
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C T1835
CC1=NN=C(C2=CC=C(CNC(CCSSCCC(ON3C(CCC3=O)=O)=O)=O)C=C2)N=N1 T18358
COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC T1836
Cc1nnc(nn1)-c1ccc(CC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O[Na])cc1 T18360
CCOC(=O)CCCCCC(O)=O T18363
OCCCCCN1C(=O)C=CC1=O T18369
Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1c[nH]cn1 T1837
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 T1838
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 T1839
CC(C)(C)OC(=O)NCCCC#C T18391
CC(C)(C)OC(=O)N(CCOCCOCCC(O)=O)CCOCCOCCC(O)=O T18392
O=C1Nc2ccccc2\C1=C1/C(=O)Nc2ccccc12 T1840
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCO T18406
CCCC(=O)N[C@H]1CCOC1=O T18408
COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1 T1841
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 T1843
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C\C(=O)NNc2cnccn2)n1 T1844
CN(CCOCCOCCO)CCOCCOCCO T18441
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCO)CCO T18457
CN(CCOCCOCCC(O)=O)CCN(C)CCOCCOCCC(O)=O T18458
CNCCN(C)CCOCCOCCC(=O)OC(C)(C)C T18459
CS(=O)(=O)SCCCC(=O)ON1C(=O)CCC1=O T18463
[N-]=[N+]=NCCC(=O)ON1C(=O)CCC1=O T18465
[N-]=[N+]=NCCCC(=O)ON1C(=O)CCC1=O T18466
[N-]=[N+]=NCCCCC(=O)ON1C(=O)CCC1=O T18467
[N-]=[N+]=NCCCCCC(=O)ON1C(=O)CCC1=O T18468
CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O T1847
O=C(NN)CCOCCOCCOCCN=[N+]=[N-] T18472
[H]C(C(C=C1)=CC=C1C(NCCOCCOCCOCCOCCOCCN=[N+]=[N-])=O)=O T18474
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCC(NN)=O T18475
[N-]=[N+]=Nc1ccc(cc1)C(=O)ON1C(=O)CCC1=O T18476
CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C T18479
Oc1ccc(\C=N\NC(=O)c2cc3ccccc3cc2O)cc1O T1848
CC(C)(C)OC(=O)CCOCC(N)COCCC(=O)OC(C)(C)C T18480
OC(=O)CCOCCOCCNCCOCCOCCC(O)=O T18481
OC(=O)CCOCCOCCOCCNCCOCCOCCOCCC(O)=O T18482
CC(C)(C)OC(=O)CCC(=O)NCCN T18484
CC(C)(C)OC(=O)NCCCCN T18485
CC(C)(C)OC(=O)NCCCCCCN T18487
O=C(NCCN)CC1=CC=C(C=C1)CN2CCN(CC(O)=O)CCN(CC(O)=O)CC2 T18488
Br.NOCCCCCC(O)=O T18489
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 T1849
O=C(OC(C)(C)C)COCCOCCOCCOCCOCCN T18492
NCCOCCOCCOCCOCCOCCCCCCCl T18493
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCN T18494
CC(C)(C)OC(COCCOCCOCCOCCOCCOCCOCCOCCN)=O T18495
O=C(CCOCCOCCON1C(=O)c2ccccc2C1=O)ON1C(=O)CCC1=O T18496
Fc1c(F)c(F)c(OC(=O)CCOCCOCCON2C(=O)c3ccccc3C2=O)c(F)c1F T18497
O=C(CCOCCOCCOCCON1C(=O)c2ccccc2C1=O)ON1C(=O)CCC1=O T18498
CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N T1850
CC(C)(CCC(=O)ON1C(=O)CCC1=O)SSc1ccc(cn1)[N+]([O-])=O T18505
CC(CCC(=O)ON1C(=O)CC(C1=O)S(C)(=O)=O)SSc1ccc(cn1)[N+]([O-])=O T18506
CC(CCC(=O)ON1C(=O)CCC1=O)SSc1ccc(cn1)[N+]([O-])=O T18507
CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1 T1851
Cc1ccc(cc1)S(=O)(=O)OCCCCCCOCc1ccccc1 T18513
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC#C)CC3)nc2n(C2CCCC2)c1=O T18515
ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 T1852
Fc1c(F)c(F)c(OC(=O)CCCSSc2ccccn2)c(F)c1F T18526
CC(C)(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)SSc1ccccn1 T18527
CC(C)(COC(=O)Oc1ccc(cc1)[N+]([O-])=O)SSc1ccccn1 T18528
[O-][N+](=O)c1ccc(OC(=O)OCCSSc2ccccn2)cc1 T18529
Fc1c(F)c(F)c(OC(=O)CCSSc2ccccn2)c(F)c1F T18531
OCCOCCOCCCCCCOCc1ccccc1 T18533
O=C(CCOCCOCCOCCOCCSSc1ccccn1)ON1C(=O)CCC1=O T18535
CS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCO T18536
Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O T1854
[N-]=[N+]=NCCOCCOCCOCCN1C(=O)c2ccccc2C1=O T18541
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCN1C(=O)c2ccccc2C1=O T18542
O=C(N1CCOCCOCCOCCO[C@@H]2C[C@@H](CO)N(C)C2)C3=C(C=CC=C3)C1=O T18543
COC(=O)c1ccc(cc1)C#CC1CCNCC1 T18545
O=C(OC1=CC=C([N+]([O-])=O)C=C1)CCCC[C@@H]2SC[C@]([C@]2([H])N3)([H])NC3=O T18546
[H][C@]12CS[C@@]([H])(CCCCC(=O)NCCOCCOCCC(=O)NN)[C@@]1([H])NC(=O)N2 T18549
C[C@]12CS[C@@H](CCCCC(=O)NCCCCCCCCCCC(O)=O)[C@@]1(C)NC(=O)N2 T18551
BrCC(=O)Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18552
NCCOCCOCCOCCC(=O)Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18553
[N-]=[N+]=NCCOCC(=O)Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18554
CC(COC(=O)Oc1ccc(cc1)[N+]([O-])=O)SSc1ccccn1 T18558
CC(CC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 T18559
Cl.Cl.NC(=N)SCc1ccc(CSC(N)=N)s1 T1856
O=C(CCC#C)ON1C(=O)CCC1=O T18560
O=C(CCCC#C)ON1C(=O)CCC1=O T18561
O=C(CCOCCOCCOCCNCC#C)ON1C(=O)CCC1=O T18562
O=C(COCC#C)NCCOCCOCCC(=O)ON1C(=O)CCC1=O T18563
O=C(COCC#C)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T18564
OC[C@H]1O[C@@H](OCCOCCOCC#C)[C@H](O)[C@@H](O)[C@@H]1O T18575
C#CCOCCOCCOCCN T18578
COC(=O)CCOCCOCCOCC#C T18579
Oc1ccc2oc(=O)c3NCCCc3c2c1 T1858
SCCOCCOCCOCC#C T18580
O=S(=O)(CCOCCOCCOCCOCC#C)CCOCCOCCOCCOCC#C T18581
NNC(CCOCCOCCOCCOCC#C)=O T18582
OC(=O)CCOCCOCCOCCOCCSCCOCCOCCOCCOCC#C T18583
C#CCOCCOCCOCCOCCSCCOCCOCCOCCOCC#C T18585
CS(=O)(=O)OCCOCCOCCOCCOCCOCC#C T18588
SCCOCCOCCOCCOCCOCCOCC#C T18589
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C T1859
COCCOCCOCCOCCOCCOCCOCCOCC#C T18590
SCCOCCOCCOCCOCCOCCOCCOCCOCC#C T18591
CNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 T18593
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CC2)C=O)s1 T18595
CN1C(=O)N(CC#C)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C T18599
Clc1ccc(cc1)N1CC(=NC1=O)N1CCOCC1 T1860
CC(N=CS1)=C1C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)S)NC(C)=O)=O)=O)C=C2 T18600
Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cn[nH]c1 T18601
O=C([C@H](CC(C)C)NC([C@@H](O)[C@@H](CC1=CC=CC=C1)N)=O)NC T18612
Oc1ccc(NC(=O)COCCOCCOCCN=[N+]=[N-])cc1 T18615
CC(C)(C)OC(=O)NCCN T18616
CC(C)(C)OC(=O)NCCCCCN T18617
NCCCOCCOCCOCCCN T18618
OC(=O)COCCCCCOCCOCCCCCOCC(O)=O T18619
Nc1nc(N)c(SC#N)cc1SC#N T1862
Cc1ccc(cc1)S(=O)(=O)OCCOCCN T18620
OC(COCCOS(C1=CC=C(C)C=C1)(=O)=O)=O T18621
O=C(OCCSC(C)(SCCOC(C=C)=C)C)NC1=CC=C(CO)C=C1 T18622
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCCC(O)=O T18623
C[C@@H](C[C@@H](N)Cc1ccc(N)cc1)C(O)=O T18624
CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCCC(O)=O T18625
ClCCOc1ccc(cc1)C1OCCO1 T18626
COC(=O)COCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T18627
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCNC(=O)OC(C)(C)C T18628
OCCOCCOCCOCC(O)=O T18629
Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1 T1863
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCNC(=O)OC(C)(C)C T18630
CC(C)(C)OC(=O)COCCOCCCCCCCl T18637
CC(C)(C)OC(=O)CCCCCOCCCCCOCCCCCCCl T18638
OC(=O)COCCOCCOCCOCCOCCCCCCCl T18639
CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1 T1864
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCC#C)c3)s2)n1 T18641
[N-]=[N+]=NCCOCCOCCNC(=O)c1ccc2ccc3cccc4ccc1c2c34 T18645
O[C@@H]1CCC\C=C\CC1 T18648
CCCCCC(O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O T18649
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 T1865
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c1ccc(C(O)=O)c(OCCCN)c1 T18650
O[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)CN1c2ccccc2CCc2ccccc12 T18652
CC(C)(CO)SS(C)(=O)=O T18653
CC(=O)SCCOCCOCCC(=O)OC(C)(C)C T18656
CCOP(=O)(CCOCCOCCOCCSC(C)=O)OCC T18658
C(CCc1nn[nH]n1)CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 T1866
COc1ccc2cc(ccc2c1)C(C)C(=O)Oc1ccc(cc1)C(N)=S T1867
O=C(O[C@H]1CCC/C([H])=C/CC1)NCCOCCOCCOCCN T18676
Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1 T1868
CC(SSc1ccccn1)c1ccc(cc1)C(=O)ON1C(=O)CCC1=O T18683
O=C(NNc1ccccc1)c1ccncc1 T1869
CS(=O)(=O)C1CC(=O)N(OC(=O)CCCSSc2ccc(cn2)[N+]([O-])=O)C1=O T18698
[O-][N+](=O)c1ccc(SSCCCC(=O)ON2C(=O)CCC2=O)nc1 T18699
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 T1870
O=C(CCCOc1c2occc2cc2ccc(=O)oc12)ON1C(=O)CCC1=O T18700
OS(=O)(=O)C1CC(=O)N(OC(=O)CCCSSc2ccccn2)C1=O T18703
O=C(CCCCCSSc1ccccn1)ON1C(=O)CCC1=O T18704
CC(C)(CC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 T18705
CC(C)(CCC(=O)ON1C(=O)CC(C1=O)S(O)(=O)=O)SSc1ccccn1 T18706
CC(C)(CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 T18707
Cl.Cl.C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 T1871
O=C(CCCCSSc1ccccn1)ON1C(=O)CCC1=O T18717
CC(CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 T18719
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 T1871L
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 T1872
O=C1CCC(=O)O1 T18723
CC(CCC(=O)ON1C(=O)CC(C1=O)S(O)(=O)=O)SSc1ccncc1C(=O)N(C)C T18724
OS(=O)(=O)C1CC(=O)N(OC(=O)c2ccc(NC(=O)CI)cc2)C1=O T18727
[Na+].[O-]S(=O)(=O)C1CC(=O)N(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C1=O T18728
OS(=O)(=O)C(CCSSc1ccc(cn1)[N+]([O-])=O)C(=O)ON1C(=O)CCC1=O T18729
CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc(N)cc1 T1873
OS(=O)(=O)C(CCSSc1ccccn1)C(=O)ON1C(=O)CCC1=O T18732
CC(CCC(=O)ON1C(=O)CC(C1=O)S(O)(=O)=O)SSc1ccccn1 T18734
Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1 T1874
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T18741
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCN=[N+]=[N-] T18742
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCCOCCN T18743
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCCOCCO T18745
CN(C)C(=O)Nc1cccc(c1)-c1ccc(cc1)N(C)C T1875
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCNCC2)s1 T18750
OC1CCC\C=C\CC1 T18751
O=C(NCCOCCNC(OC1CC/C=C\CCC1)=O)OC2CC/C=C\CCC2.[MW T18752
NCCOCCOCCNC(=O)OC1CCC\C=C/CC1 T18758
Cc1ccc(NC(=S)NNc2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1Cl T1876
OC(=O)CCOCCOCCOCCNC(=O)OC1CCC\C=C/CC1 T18762
O=C(O[C@H]1CCC/C([H])=C/CC1)NCCOCCOCCOCCO T18763
NCCOCCOCCOCCNC(=O)OC1CCC\C=C/CC1 T18765
O=C(O[C@H]1CCC/C([H])=C/CC1)NCCOCCOCCOCCNC(CCN2C(C=CC2=O)=O)=O T18767
O=C(CCOCCOCCOCCNC(=O)OC1CCC\C=C/CC1)ON1C(=O)CCC1=O T18768
NOCC(NCCOCCOCCOCCNC(O[C@H]1CCC/C([H])=C/CC1)=O)=O T18769
Cc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl T1877
O=C(NCCOCCOCCOCCNC(=O)OC1CCC\C=C/CC1)OC1CCC\C=C/CC1 T18770
NCCOCCOCCOCCOCCNC(=O)OC1CCC\C=C/CC1 T18772
NCCOCCOCCOCCOCCOCCOCCNC(=O)OC1CCC\C=C/CC1 T18777
Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F T1878
[O-][N+](=O)c1ccc(OC(=O)O[C@@H]2CCC\C=C\CC2)cc1 T18785
O=C(NCCSSCCN)O[C@@H]1CC/C=C([H])/CCC1 T18786
CC(C)(C)OC(=O)CCCCCCCCCCN T18788
Cn1cnc(N)c2ncnc12 T1879
O=C(CCCC(=O)ON1C(=O)CCC1=O)NCc1ccc(cc1)-c1nncnn1 T18794
OCCOCCOCCOCCC(NCC1=CC=C(C2=NN=CN=N2)C=C1)=O T18795
O=C(NCC1=CC=C(C2=NN=CN=N2)C=C1)CCOCCOCCOCCOCC#C T18796
O=C(CCSSC1=CC=CC=N1)NCC2=CC=C(C3=NN=CN=N3)C=C2 T18799
OC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 T1880
O=C(CCSSCCC(ON1C(CCC1=O)=O)=O)NCC(C=C2)=CC=C2C3=NN=CN=N3 T18803
OC(=O)CCC(=O)NCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18805
O=C(N(C1=O)C(C(N2)=O)CCC2=O)C3=C1C=CC=C3NCCCCCCCCCCC(O)=O T18806
CC(C)(C)OC(=O)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18807
OC(=O)C(F)(F)F.NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18808
OC(=O)C(F)(F)F.NCCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18809
COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 T1881
NCCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18810
Cl.NCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18811
NCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18813
Cl.NCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18815
Cl.NCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18816
O=C(NCCCCCCCCN)COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O.Cl T18817
Cl.NCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18818
Cl.NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18819
CN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2ccccc12 T1882
OC(=O)C(F)(F)F.NCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18824
NCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18825
O=C1N(C2CCC(=O)NC2=O)C(=O)c2c1cccc2OCCOCCOCC#C T18826
NCCOCCOCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T18827
O=C1N(C2CCC(=O)NC2=O)C(=O)c2c1cccc2OCC#C T18831
SCCOCC(O)=O.[MW T18832
SCCOCC(O)=O.[MW T18833
SCCOCC(O)=O.[MW T18834
SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO T18835
CCOP(=O)(CCOCCOCCOCCS)OCC T18838
OCCOCCOCCOCCS T18839
O=C(N1CCCCC1)c1ccc2nccnc2c1 T1884
OC(=O)CCOCCOCCOCCOCCOCCS T18840
OCCOCCOCCOCCOCCS T18841
OC(=O)CCOCCOCCOCCOCCOCCOCCS T18842
OCCOCCOCCOCCOCCOCCOCCOCCS T18843
SCCOCCOCCOCCOCCOCCOCCOCCOCCO T18844
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1CO)OCCOCCOCCOCCOC1CCCCO1 T18846
CN1C[C@@H](C[C@H]1CO)OCCOCCOCCOCCOC1CCCCO1 T18847
Cl.Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 T1885
Cc1ccc(cc1)S(=O)(=O)OCCOCCNC(=O)OC(C)(C)C T18850
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOC1CCCCO1 T18853
OS(=O)(=O)C1CC(=O)N(OC(=O)[C@H]2CC[C@H](CN3C(=O)C=CC3=O)CC2)C1=O T18856
OC(=O)CCOCCN(CCOCCC(O)=O)CCOCCC(O)=O T18860
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 T18861
OCCOCCOCCOCc1ccccc1 T18862
Cl.N[C@@H](CCCCNC(=O)OCCN=[N+]=[N-])C(O)=O T18863
N[C@@H](CCCCNC(=O)OCCN=[N+]=[N-])C(O)=O T18864
Cl.N[C@@H](Cc1cccc(c1)N=[N+]=[N-])C(O)=O T18865
CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O T18868
CCC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)N1c2ccccc2Sc2ccccc12 T1887
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3\C(C[C@@]21[H])=N\OCC(O)=O T18877
CN(C)c1ccc2c(-c3c(Cl)cc(C(O)=O)c(Cl)c3C([O-])=O)c3ccc(cc3[o+]c2c1)N(C)C T18878
CN(C)c1ccc2c(-c3c(Cl)c(cc(Cl)c3C([O-])=O)C(O)=O)c3ccc(cc3[o+]c2c1)N(C)C T18879
CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N T1888
CC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12 T18880
Nc1cc2ccccc2cc1N T18881
Nc1ccc2[nH]c3ccccc3c(=O)c2c1 T18882
[I-].CN(C)c1ccc(\C=C\c2cccc[n+]2C)cc1 T18883
OC(=O)c1cc(Cl)c(C(O)=O)c(C(O)=O)c1Cl T18885
OC(=O)c1cc(Cl)c2C(=O)OC(=O)c2c1Cl T18886
O.Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12 T18887
Cc1cc(=O)oc2cc(OP(O)(O)=O)ccc12 T18888
Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 T18889
O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 T1889
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(O)=O)c3ccc(cc3[o+]c2c1)N(C)C T18891
CN(C1=CC2=[O+]C3=C(C=CC(N(C)C)=C3)C(C4=CC=C(C(O)=O)C=C4C(O)=O)=C2C=C1)C.[Cl-] T18891L
CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC T1890
Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31 T18900
Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccc(cc23)C(=O)ON2C(=O)CCC2=O)c1 T18901
OC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31 T18902
CN(C)c1ccc2c(-c3cc(ccc3C([O-])=O)C(O)=O)c3ccc(cc3[o+]c2c1)N(C)C T18905
CCCC(C)NC(=O)c1ccc(Cl)c(Cl)c1 T1891
Nc1ccc(cc1S(O)(=O)=O)N=Nc1ccc(cc1)S(=O)(=O)O[Na] T18910
[Cl-].Nc1ccc2cc3ccc(N)cc3nc2c1.C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 T18911
CC(=O)N1c2ccc(O)cc2Oc2cc(O)ccc12 T18912
[Na+].CCN(CC(O)CS([O-])(=O)=O)c1cccc(OC)c1 T18913
O=C([C@@H]1N=C(/C=C/C=C/C2=CC=C(N(C)C)C=C2)SC1)O.Cl T18914
C#CCC(N[C@@H](CCCCN)C(NCCC1(C)N=N1)=O)=O T18915
[Na+].CCN(CCCS([O-])(=O)=O)c1ccccc1 T18916
[Cl-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C T18918
c1ccc(cc1)-c1ccnc2c1ccc1c(ccnc21)-c1ccccc1 T18919
[O-][N+](=O)c1cc(cc(c1NNC(=S)Nc1ccc(F)cc1)[N+]([O-])=O)C(F)(F)F T1892
[O-][N+](=O)c1ccc(NCc2ccccc2)c2nonc12 T18920
Cc1ccc(N)cc1.OP(O)(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12 T18923
OC(=O)c1cc(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O T18924
COc1ccc2c(CBr)cc(=O)oc2c1 T18927
Cc1c(C)c(=O)n2n1c(CBr)c(C)c2=O T18929
CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 T1893
Cc1cc(=O)oc2c(CN(CC(O)=O)CC(O)=O)c(O)ccc12 T18933
Cc1ccc(O)c(c1)\N=N\c1c(O)cc(c2ccccc12)S(O)(=O)=O T18934
CC([O-])=O.Nc1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1 T18935
[O-][Cl](=O)(=O)=O.Nc1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1 T18936
OC[C@H]1O[C@@H](Oc2ccc3cc(C(O)=O)c(=O)oc3c2)[C@H](O)[C@@H](O)[C@H]1O T18937
CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 T1894
CC[n+]1c(\C=C\C=C2\Oc3ccccc3N2CCCCCC([O-])=O)oc2ccccc12 T18940
CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2)ccn1 T1895
NC1=CC=C(C(C)=C(CC(NCCCC[C@H](NC([C@@H](C)N)=O)C(O)=O)=O)C(O2)=O)C2=C1.[H]Cl T18957
C[C@@H](N)C(=O)N[C@@H](CCCCNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O)C(O)=O T18959
COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O T1896
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)C(=O)ON1C(=O)CCC1=O T18962
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)C(O)=O T18963
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(Cl)(=O)=O T18964
CNc1ccc2c(C(=O)OC22c3cc(F)c(OC(C)=O)cc3Oc3cc(OC(C)=O)c(F)cc23)c1N T18965
CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3cc(N)c(N)cc23)c1 T18966
CN(C)c1cccc2c(cccc12)S(Cl)(=O)=O T18967
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCN T18968
OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O T1897
O=C1c2ncccc2-c2cccnc12 T18971
[Na+].Oc1c(Cl)cc(Cl)cc1S([O-])(=O)=O T18972
[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S([O-])(=O)=O)N=C=S)N=C=S T18975
CC(=O)Oc1ccc2C(c3ccc(OC(C)=O)cc3Oc2c1)c1ccccc1C(O)=O T18976
COC(=O)c1ccccc1C1c2ccc(N)cc2Oc2cc(N)ccc12 T18977
Oc1c(Cc2ccccc2)nc2c(nc(cn12)-c1ccccc1)-c1ccccc1 T18978
Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 T1898
CCN(CCC(=O)OC)c1ccc(cc1)N=Nc1snc2ccc(cc12)[N+]([O-])=O T18980
COc1ccc(cc1OC)-c1nc2cc(ccc2[nH]1)-c1nc2cc(ccc2[nH]1)N1CCN(C)CC1 T18981
OC(=O)CCCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T18983
[O-][N+](=O)c1ccc(NCCCCCC(=O)ON2C(=O)CCC2=O)c(c1)[N+]([O-])=O T18984
[F-][B+3]1([N]2=C(C3=CC=CN3)C=CC2=CC4=CC=C(CCC(ON(C5=O)C(CC5)=O)=O)[N-]14)[F-] T18987
O=C1OC2(OC=C(C2=O)c2ccccc2)c2ccccc12 T18990
Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(ccc23)N2C(=O)C=CC2=O)c1 T18991
Cl.Cc1cc(ccc1N)C(=C1C=CC(=N)C=C1)c1ccc(N)cc1 T18994
Cc1ccc(cc1)S(O)(=O)=O.NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[N+]([O-])=O T18997
N[C@@H](CCCCNC(OCCC1(C)N=N1)=O)C(O)=O.[H]Cl T18998
CC1(CCOC(=O)NCCCC[C@H](N)C(O)=O)N=N1 T18999
C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 T1900
CN(C)CCN(C)c1ccc(C=C(C#N)c2ccc(cc2)C#N)cc1 T19000
CN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1ccc2[nH]c(nc2c1)-c1cccc(O)c1 T19002
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1cccc(C)c1 T19004
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(C)cc1 T19005
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc2ccccc2c1 T19006
CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O T1901
CN(C)c1ccc(cc1)-c1nc2cc(ccc2[nH]1)-c1nc2cc(ccc2[nH]1)N1CCN(C)CC1 T19011
CS(O)(=O)=O.CS(O)(=O)=O.NC(=N)c1ccc(\C=C\c2ccc(cc2O)C(N)=N)cc1 T19014
Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(Br)c2)cc1 T19018
Cc1ccc(cc1)S(=O)(=O)\C=C\C#N T1902
CC(=O)c1ccc2cc(NC[C@H](N)C(O)=O)ccc2c1 T19020
N[C@@H](CNC1=CC=C2C=C(C(C)=O)C=CC2=C1)C(O)=O.Cl T19021
[O-][Cl](=O)(=O)=O.CC[n+]1c(\C=C\C=C\c2ccc(cc2)N(C)C)ccc2cc(ccc12)N(C)C T19022
Cl.COc1ccc(cc1)-c1cn2c(c[nH]1)nc(C)c2=O T19024
C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[O-])c2nc(N)[nH]c(=S)c12 T19025
Cc1c(C)c(=O)n2n1c(CCl)c(C)c2=O T19028
[Br-].Cc1nc(sc1C)-[n+]1nc(nn1-c1ccccc1)-c1ccccc1 T19029
[O-][N+](=O)c1ccc(Cl)c2nonc12 T19030
[O-][N+](=O)c1ccc(F)c2nonc12 T19031
CCN(CC)c1ccc2nc3c(cc(=O)c4ccccc34)oc2c1 T19033
CCN(C1=CC2=[O+]C3=C(C4=CC=CC=C4C(N)=C3)N=C2C=C1)CC.O=S([O-])([O-])=O.[0.5] T19034
OC1(O)C(=O)c2ccccc2C1=O T19036
Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1 T1904
CCNc1cc2Oc3cc(ccc3C3(OC(=O)c4ccccc34)c2cc1C)B1OC(C)(C)C(C)(C)O1 T19042
[O-][Cl](=O)(=O)=O.CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC T19044
[Na+].Oc1ccc(cc1)C1(OS(=O)(=O)c2ccccc12)c1ccc([O-])cc1 T19046
[O-][Cl](=O)(=O)=O.N#Cc1c2cc3CCCN4CCCc(c34)c2[o+]c2c3CCCN4CCCc(cc12)c34 T19054
NC(=O)C(=C\c1cc2ccc(cc2oc1=O)N1CCC1)\C#N T19055
CCCCNc1ccc(NCCCC)c2C(=O)c3ccccc3C(=O)c12 T19057
CC1=NN(C(=O)C1\N=N\c1ccccc1)c1ccccc1 T19058
CC1=NN(C(=O)C1\C=C1/C(C)=NN(C1=O)c1ccccc1)c1ccccc1 T19059
C(=O)(C[C@H]1c2n(c3c(C(=N1)c1ccc(cc1)Cl)cc(cc3)OC)c(nn2)C)NCC T1906
COc1ccc2[n+](CCCS([O-])(=O)=O)cccc2c1 T19060
Cc1ccc(cc1)S([O-])(=O)=O.CN1\C(Sc2ccccc12)=C\c1cc[n+](C)c2ccccc12 T19065
CC([O-])=O.Nc1ccc2nc3ccc(N)cc3[s+]c2c1 T19067
Cc1ccc(cc1)S([O-])(=O)=O.C[N+](C)(C)c1ccc(\C=C\C=C\C=C\c2ccccc2)cc1 T19068
NC1=C(C)C=C(C2=CC(C)=C(N)C(C)=C2)C=C1C.[2HCl] T19069
COc1cc(c(Cl)cc1Cl)-n1c(S)nc2ccccc2c1=O T1907
OS(O)(=O)=O.Cc1cc(cc(C)c1N)-c1cc(C)c(N)c(C)c1 T19070
Cc1cc(cc(C)c1N)-c1cc(C)c(N)c(C)c1 T19071
Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1 T19073
OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O T19075
Cc1ccc(cc1)S(=O)(=O)Nc1cc(OCC(O)=O)cc2ccc(C)nc12 T19077
CC(=O)c1ccc2cc(NCC(N)C(O)=O)ccc2c1 T19078
NC(CNC1=CC=C2C=C(C(C)=O)C=CC2=C1)C(O)=O.Cl T19079
[O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 T1908
C1CSCSC1 T19081
Oc1ccc2ccc3cccc4ccc1c2c34 T19082
Cn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T19083
CC(=O)Oc1cccc2ccccc12 T19084
Cc1cn([C@@H]2O[C@@]3(CO)CO[C@@H]2[C@@H]3O)c(=O)[nH]c1=O T19086
[2H]C([2H])([2H])Oc1cc(C)c(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)c(C)c1C T19088
CCOC(=O)c1ccc(NC(=O)\C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C)cc1 T19089
Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12 T1909
[H][C@@]12CC[C@H]([C@H](C)\C=C\C(C)(O)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T19090
OCC(O)C(O)Cc1cnc2ccccc2n1 T19091
CC(C)(CC(O)=O)C(O)=O T19092
CC(O)C(C)O T19094
Nc1nc(N)c(N)c(N)n1 T19095
Nc1ccc(cn1)-c1ccccc1 T19096
Nc1ccccc1C(=O)Nc1ccccc1 T19097
Cl.CN(C)CC=O T19099
CN(C)CC=O T19100
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O T19101
OC(CCCC(O)=O)C(O)=O T19102
O=c1cc[nH]c(=[Se])[nH]1 T19103
Cl.NCCSSc1ccccn1 T19106
[H][C@@]12CC[C@H]([C@H](C)\C=C\C(C)(O)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T19107
[H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T19108
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T19109
Cn1ncc(Cl)c1-c1cc(sc1Cl)C(=O)N[C@H](CN)Cc1cccc(F)c1 T1911
CCC\C=C/C=C/C=C/C(=O)OC T19110
CCOC(=O)[C@H](C)C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O T19111
CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O T19112
[H]N(C(CC(C)C(O)=O)=O)[C@H](CC(C=C1)=CC=C1C2=CC=CC=C2)C[C@@H](C)C(OCC)=O T19113
CCOC(=O)[C@@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O T19114
Cc1ccc(cc1C)C(O)=O T19115
OC[C@@H](O)[C@H](O)CC(=O)C=O T19116
OC[C@@H](O)[C@@H](O)CC(=O)C=O T19117
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO T1912
CCCCCCCCCC(O)CC(O)=O T19120
CCC(O)CC(O)=O T19121
CCC(C)CC(O)=O T19122
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](CCC1=C)OCCCN)[C@H](C)CCCC(C)(C)O T19123
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O T19124
CC(CC(O)=O)c1ccccc1 T19125
[Ba++].OC(COP([O-])([O-])=O)C(O)=O T19126
OC(COP(O)(O)=O)C(O)=O T19127
C1=NC=CC=C1CC(O)=O T19128
COc1cc(CCC(O)=O)cc(OC)c1OC T19129
COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC T1913
NCc1[nH]cc(CCC(O)=O)c1CC(O)=O T19130
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C T19131
CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H]1C[C@@H](O)CC(=O)O1)N(C)S(C)(=O)=O T19132
Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]1O T19133
OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1N=[N+]=[N-])n1ccc(=O)[nH]c1=O T19134
OC1CCC(CC1)C(O)=O T19135
[2H]C([2H])(NCCOc1ccc(O)cc1OC)C([2H])(O)C([2H])([2H])Oc1cccc2[nH]c3ccccc3c12 T19136
CC(=O)c1ccc(C)cc1 T19137
CC(C)CCC(O)=O T19138
O[C@@H]1[C@H](O)[C@@H](O)[C@@H](OC2=CC=C([N+]([O-])=O)C=C2)O[C@@H]1CO T19139
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 T1914
CCC(=O)Nc1ccc(O)cc1 T19140
CNc1ccc(cc1)-c1nc2ccc(Br)cc2s1 T19142
Nc1ccc(cc1)-c1nc2ccc(Br)cc2s1 T19143
COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O T19145
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O T19146
Cl.NCC(=O)CCC(=O)OCc1ccccc1 T19147
Nc1nc2[nH]ccn2c(=O)n1 T19148
O[C@@H]([C@H]([C@H](N1C(NC(C(Br)=C1)=O)=O)O2)O)[C@H]2COP(O)(OP(OP(O)(O)=O)(O)=O)=O.[x T19150
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O T19151
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(O)c(=O)[nH]c1=O T19152
Cl.[2H]C([2H])(NCCC)C([2H])(O)C([2H])([2H])Oc1ccc(O)cc1C(=O)CCc1ccccc1 T19153
Cc1ccc(C=O)s1 T19154
CC1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O T19155
Nc1nc(O)ccc1[N+]([O-])=O T19157
CC(C)N1C(=O)c2cc(O)ccc2NS1(=O)=O T19158
c12sc(CN3CCN(C(=O)[C@@H](O)C)CC3)c(C)c1nc(c1cnc(N)nc1)nc2N1CCOCC1 T1916
C[C@H](O)[C@H](O)C1=Nc2c(NC1)nc(N)[nH]c2=O T19160
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C T19161
O=C(NCCC1=C2C=C(O)C=CC2=CC=C1)C([2H])([2H])[2H] T19162
C[C@@]12-;@[C@](-;@C-;@C-;@[C@]-;@2([H])[C@H](C)CCCC(C)C)([H])-;@C3=;@C(-;@[C@@]4(-;@C(-;@C-;@[C@@H](O)-;@C-;@C-;@4)=;@C-;@C-;@3)C)-;@C-;@C-;@1 T19164
Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1 T19165
COc1ccc2c(cc3-c4cc5OCOc5cc4CCn3c2=O)c1OC T19166
O=c1c(Cc2ccccc2)nc2c([nH]c(cn12)-c1ccccc1)-c1ccncc1 T19167
CC1(CCC(=O)N[C@@H]2[C@@H](O)C[C@@](O)(O[C@H]2[C@H](O)[C@H](O)CN=[N+]=[N-])C(O)=O)N=N1 T19168
C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O T19169
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 T1917
Fc1ccc2c(c1)[nH]c1cc(Cc3cccnc3)ccc21 T19170
C\C=C/C\C=C\CCCCCCCCOC(C)=O T19171
O=C(N1)N([C@@H]2O[C@H](COP(OP(OP(O)(O)=O)(O)=O)(O)=O)[C@@H](O)C2)C=C(/C=C\CN)C1=O.[x T19173
CC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 T19174
CC(=O)Nc1ccc(O)c(O)c1 T19175
[H][C@]12CCN3(=O)CC=C(COC(=O)[C@](C)(OC(C)=O)C(=C)C\C(=C\C)C(=O)O1)[C@]23[H] T19176
O=C(C1=CSC(NC(C2=CC(OC([2H])([2H])[2H])=C(OC([2H])([2H])[2H])C=C2O)=O)=N1)NCCN(C(C)C)C(C)C T19177
N[C@@H](CCCCNC(=O)O[C@@H]1CCC[C@H]1N=[N+]=[N-])C(O)=O T19178
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl T1918
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O T19180
OC[C@H]1CNC[C@@H](O)[C@@H]1O T19181
OC[C@H]1CNC[C@@H](O)[C@@H]1O.O[C@@H]([C@H](O)C(O)=O)C(O)=O T19182
[2H]C([2H])([2H])OC(=O)Nc1nc2cc(SCCC)ccc2[nH]1 T19183
[2H]C([2H])([2H])OC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)CCC T19184
[H][C@@]12C[C@]3(C(O)O1)[C@]([2H])(CC[C@@]3([H])[C@]1([H])CC([2H])([2H])C3=C([2H])C(=O)C([2H])([2H])C[C@]3(C)[C@@]21[H])C(=O)C([2H])([2H])O T19185
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O T19186
CC1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 T19188
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C T19189
CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 T1919
Cl.[2H]C([2H])([2H])n1c2CCN(Cc3[nH]cnc3C)C(=O)c2c2ccccc12 T19190
[2H]C([2H])([2H])n1c2CCN(Cc3[nH]cnc3C)C(=O)c2c2ccccc12 T19191
CC(O)C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)\c1ccccc1 T19192
Cl.Cl.Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1COCCN T19193
[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@H](CC[C@]12C)OC(=O)CC T19194
[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T19195
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCO T19196
NC(=N)NCCC[C@H](O)C(O)=O T19197
[2H]c1c([2H])c([2H])c2C(=O)C([C@H]3CC[C@@H](CC3)c3ccc(Cl)cc3)=C(O)C(=O)c2c1[2H] T19198
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 T1920
CC(=O)C1=C(C)N(C(=O)NC1c1ccc(nc1)C#N)c1cccc(c1)C(F)(F)F T19202
O=C(O)CCCC1=NC2=CC(N(CCCl)C([2H])([2H])C([2H])([2H])Cl)=CC=C2N1C T19203
COCCOc1ccc(OCc2cc(Cl)ccc2\C(=C/OC)C(=O)OC)cc1 T19204
OC(=O)c1ccc(cc1C(O)=O)C(=O)c1ccc(C(O)=O)c(c1)C(O)=O T19205
COc1ccc2ncc(=O)n(C(CO)CO)c2n1 T19206
Oc1ccc(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 T19209
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F T1921
[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NN)[C@@]1([H])NC(=O)N2 T19210
Cc1oc(nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12)-c1cccs1 T19211
[H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T19213
NC(=O)c1[nH]cnc1O T19214
[2H]C([2H])([2H])C1(COC(O)(C(C)N1)c1cccc(Cl)c1)C([2H])([2H])[2H] T19217
COC(=O)[C@H](CCCCN)NC(=O)c1ccccc1 T19218
COC(=O)C1=CC[C@]23CC[C@H]([C@]2(CC1)OC(C)=O)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O T1922
[H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T19225
O[C@H](C/1=C)C[C@@H](CC1=C\C=C2[C@@](CC[C@@H]3[C@@H](CCCC(C)(O)C)C)([H])[C@]3(C)CCC\2)OCCC#N T19226
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1\C[C@@H](O)C[C@H](O)C1=C T19227
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCCC(C)(C)O T19228
COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1 T1923
Cl.FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 T19230
[Na+].CC1CCC(O)OC1COCC1CCCC(CCC(=O)O[O-])O1 T19232
ClC1=CC=C(C(N2CCN(C([2H])([2H])C([2H])([2H])OCC(O)=O)CC2)C3=CC=CC=C3)C=C1.Cl.Cl T19233
Cl.Cl.[2H]C1([2H])N(CCOCC(O)=O)C([2H])([2H])C([2H])([2H])N(C(c2ccccc2)c2ccc(Cl)cc2)C1([2H])[2H] T19234
OC(=O)[C@H]1CCCC[C@]1(O)c1ccccc1 T19239
CC(=O)O\N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 T1924
COc1cc(\C=C\C(=O)N2CCCCCCC2)cc(OC)c1OC T19240
CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12 T19241
OCc1cc(Cl)ccc1OCC(O)=O T19242
Cl.CCn1c2ccccc2c2cc(CNCc3ccccn3)ccc12 T19243
C[C@@H]1O[C@@H](Oc2ccc(cc2Cl)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O T19244
[O-][N+](=O)c1ccccc1-c1ccc(Cn2ccc(=O)[nH]c2=O)o1 T19246
CCC(OC)c1c(O)c(=O)cc(C)n1C T19248
[2H]C([2H])([2H])N1CC(=O)N=C1N T19249
FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1 T1925
O=C1C2=C([N+](CC3=CC=CC=C3)=C(C)N2CC4=CC=CC=C4)C(C5=C1C=CC=C5)=O T19250
[H]Cl.O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCNCC4)C=C3)=NC=C2Cl T19251
[2H]C([2H])([2H])NC(=O)c1cc(cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C#N T19252
O=C(COC1CCCCCC#C1)ON1C(=O)CCC1=O T19254
OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O T19255
C[C@@H](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(O)=O T19256
O=C(NCCNC1=CC=C([N+]([O-])=O)C2=NON=C21)/C=C/C(C3=CC=CC=C3)=O T19257
NC(C(O)=O)c1c[nH]c2ccccc12 T19258
C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O T19259
C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1 T1926
O[C@H](COP(O)(=O)O[Na])[C@@H](O)C=O T19260
O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.[13].[13].[13].[13].[13].[13] T19261
O=C[C@@H]([C@H]([C@@H]([C@@H](COP(O[Na])(O[Na])=O)O)O)O)O T19262
O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C=O T19263
N[C@H](CCS(C)=O)C(O)=O.[H]Cl T19264
CS(=O)CC[C@@H](N)C(O)=O T19265
O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)C=O T19267
OCC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O T19268
O=C1\C(CC\C1=C/c1cccs1)=C\c1cccs1 T1927
[Na+].CCN(CC(O)CS([O-])(=O)=O)c1cc(OC)cc(OC)c1 T19271
O=C(NCC1=CC(C)=C(F)C=C1)C2=CC(C(NCC3=CC(C)=C(F)C=C3)=O)=CN=C2 T19272
C[N+](C)(C)CCCCC([O-])=O T19274
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NCC(O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 T19275
[H][C@]12C[C@@]3(C)[C@@]([H])(C[C@@H](C)[C@]3(O)C(=O)CO)[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@]13O2 T19277
CCCCCCCCOC(=O)OCCCCCCCC T19278
CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(cc1O)N(CC)CC T19279
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCCCC(=O)OCCN(CC)CC T19280
OCC(=O)COP(O)(O)=O T19281
O=C(CO)COP(O)([O-])=O.O=C(CO)COP(O)([O-])=O.[Mg+2] T19281L
CC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)C T19282
CC(C)(C(O)=O)C(O)=O T19284
O=c1c2ccccc2c(=O)c2sc(C#N)c(sc12)C#N T19285
CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc12 T19286
NC(CCCN=C(N)N)C(O)=O T19288
OCC(O)C(O)=O T19289
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 T1929
NCCCCC(N)C(O)=O T19290
[H][C@](CC(O)=O)(C(O)=O)[C@](C)(O)C(O)=O.[H][C@@](CC(O)=O)(C(O)=O)[C@@](C)(O)C(O)=O T19292
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC T19294
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O T19295
[2H]C1([2H])N(C(=O)C2COc3ccccc3O2)C([2H])([2H])C([2H])([2H])N(c2nc(N)c3cc(OC)c(OC)cc3n2)C1([2H])[2H] T19297
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(C)(OCCN(C)C)c1ccccn1 T19298
O[C@@H](CS)[C@H](O)CS T19299
Cc1ccc(NCCCc2ccccc2)c(N)c1 T1930
O=C(N[C@](CCC(O)=O)([H])C(O)=O)N[C@](CCC(O)=O)([H])C(O)=O T19301
CC[C@@H](N)C(O)=O T19302
COC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC T19303
C=C1[C@@H](O)[C@H](OCCCO)[C@H](O)C/C1=C/C=C2CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@@H](CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C T19305
ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl T19308
CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(Cl)cc1 T1931
OS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccccc1 T19310
O=C(O)C1=CC=C(N(C(N2C3=CC=C(C#N)C(C(F)(F)F)=C3)=S)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C2=O)C=C1F T19311
Cl.[2H]C([2H])([2H])OCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC([2H])([2H])[2H] T19312
Nc1nc2N\C(=C\C(=O)C(O)=O)C(=O)Nc2c(=O)[nH]1 T19313
CCOC(=O)CC(C)O T19314
CCCCCCCCC(=O)OCC T19315
CCCCCCCC\C=C/CCCCCCCC(=O)OCC T19316
CCOC(=O)Cc1ccccc1 T19317
CCOC(=O)C1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O T19318
CCOC(=O)CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC T19319
[O-][N+](=O)c1ccc(\C=C2/CN(C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)C(=O)C=C)cc1 T1932
Nc1ncnc(N)c1NC=O T19320
C[C@@H](OC1=CC=C(OC2=NC3=CC=C(Cl)C=C3O2)C=C1)C(OCC)=O T19321
[Br-].Cc1ccc2[n+]3CCCn3c(-c3ccccc3)c2c1 T19322
CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1 T19323
[H][C@@]([C@@H](C)CC)(N(C)C(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O T19324
O=C(N(C)[C@H](C(O)=O)C(C)C)OCC1C2=C(C=CC=C2)C3=C1C=CC=C3 T19325
O=C(O)[C@H](CC1=CN(C)C2=C1C=CC=C2)NC(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O T19326
O=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)c1ccccc1 T1933
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCc1cccnc1 T19331
OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O T19334
Cl.NCC(=O)N1C[C@@H](C[C@H]1C(O)=O)NC(=O)c1ccccc1 T19335
NCC(=O)N1C[C@@H](C[C@H]1C(O)=O)NC(=O)c1ccccc1 T19336
Cl.Cl.C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 T19337
COc1ccc(cn1)C1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)ccc2O1 T19339
CC(C)(C)c1ccc(cc1)S(=O)(=O)\C=C\C#N T1934
C[N+](C)(C)C[C@@H](CC(O)=O)OC(=O)CCCC([O-])=O T19340
OC[C@@H](O)COP(O)(O)=O T19343
O[C@H](CO)COP(O)(O)=O.NC1CCCCC1.NC2CCCCC2 T19343L
CC(CCc1ccc(cc1)C(N)=O)NCC(O)c1ccc(O)c(O)c1 T19345
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O T19346
COc1cc(NC(=O)[C@@H](N)CCCNC(N)=N)cc2ccccc12 T19347
NCCCC[C@@H](C(O)=O)NC([C@H](CCCNC(N)=N)N)=O.O=C(O)C(F)(F)F T19348
NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O T19349
C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 T1935
CC(C)[C@H](N)C(=O)N[C@@H](C)C(O)=O T19350
N#C/C(C1=CC=C(C#N)C=C1)=C\C2=CC3=CC=C(N(C)CCO)C=C3S2 T19351
N#Cc1ccc(cc1)C(\C#N)=C\c2cc3sc(cc3s2)N(C)CCO T19352
[Na+].COc1cc(NCC(O)CS([O-])(=O)=O)cc(OC)c1 T19353
[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T19358
CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N T19359
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 T1936
CN1[C@@H](C[C@@H](O)C1=O)c1cccnc1 T19361
C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)(C)O T19363
O.[Li]OC(=O)C(=O)CO T19364
OCC(=O)C(O)=O T19365
ClC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(C([2H])([2H])C([2H])([2H])OCCO)CC3.Cl.Cl T19366
NC(=O)Cc1ccc(Nc2nnc(-c3ccccc3OCC3COCCO3)c3cccn23)c(F)c1 T19367
CC(C)C1(C)N=C(NC1=O)c1ncc(C)cc1C(O)=O T19369
Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1 T1937
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C)[C@H](C)\C=C\[C@H](C)C(C)C T19370
C1Cc2cccc(NC3=NCCN3)c2C1 T19371
CC([O-])C.[In+3].[1/3] T19372
NCc1c[nH]c2ccccc12 T19373
CC(C)N(C(=O)n1cnn(-c2ccc(Cl)cc2Cl)c1=O)c1ccc(F)cc1F T19378
[Na+].[Na+].Oc1ccc(cc1C([O-])=O)\N=N\c1ccc(cc1)C(=O)NCC([O-])=O T19379
FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1 T1938
COc1c(O)cc(O)cc1O T19380
CC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T19381
Nc1nc(O)nc2nc[nH]c12 T19382
CC(C)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T19384
[H][C@@]12CCC(C)=C3CC=C(C)[C@]3([H])[C@@]1([H])OC(=O)C2=C T19387
[Mg++].OCC(O)C1OC(=O)C(OP([O-])([O-])=O)=C1O T19389
COC(=O)CNC(=O)C(=O)OC T1939
OC[C@H](O)[C@H]1OC(=O)C(OP(O)(O)=O)=C1O T19390
CCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T19391
N[C@@H](CCS)C(O)=O T19392
N[C@@H](CCS1)C1=O.Cl T19393
Cl.Cl.NC[C@H](O)CC[C@H](N)C(O)=O T19394
Cl.Cl.N[C@@H](Cc1ccc(O)c(c1)-c1cc(C[C@H](N)C(O)=O)ccc1O)C(O)=O T19395
N[C@@H](Cc1ccc(O)c(c1)-c1cc(C[C@H](N)C(O)=O)ccc1O)C(O)=O T19396
CS(=O)CC[C@H](N)C(O)=O T19397
CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T19398
N[C@@H](CC(O)=O)C(O)=O.N[C@@H](CCCN)C(O)=O T19399
[O-][N+](=O)c1ccc(cc1OC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 T1940
[H][C@]12CNCC(=O)N1CCc1ccccc21 T19400
C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O T19401
CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T19402
OC1=C(OC)C2=C3C(CCN[C@@]3([H])CC4=CC(O)=C(OC)C=C24)=C1.[H]Cl T19403
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T19404
CN(C)c1nsc2c1C(=O)c1ccccc1C2=O T19405
O=C(O)/C=C/C1=CC=CC(O)=C1 T19408
Cc1cccc(CC(O)=O)c1 T19409
FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 T1941
C\[N+]([O-])=N\CO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O T19412
[2H]C([2H])([2H])C([2H])([2H])N(CCCCO)C(C)Cc1ccc(OC)cc1 T19414
OP(O)(=O)CP(O)(O)=O T19415
CC([C@@]1(OC(C([2H])([2H])[2H])=O)CC[C@@]2([H])[C@]3([H])C[C@H](C)C4=CC(CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O)=O T19416
CS(=O)(=O)Nc1ccc(F)c(c1)C(O)CN T19417
CS(=O)CCC(N)C(O)=O T19418
[2H]C([2H])(OC(N)=O)C([2H])(O)C([2H])([2H])Oc1ccccc1OC T19419
CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 T1942
COC(=O)Cc1cc(=O)oc2cc(O)ccc12 T19420
COC(=O)CCC(=O)CN T19421
CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T19422
O=C(OC)CC/C(C)=C/CC1=C(O)C2=C(COC2=O)C(C)=C1OC.[(E)] T19424
O=C(O)CC(C)(O)CCO.[Li+] T19426
CC(O)(CCO)CC(O)=O T19427
Nc1c(F)ccc2cnc(cc12)-n1ccc2ccncc12 T19429
COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 T1943
CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)c1ccccc1 T19430
COc1cc(cc(OC)c1O)C1Oc2cc3oc(=O)ccc3cc2OC1CO T19431
[H][C@]12CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@](C)(O)[C@@H](C)C(=O)O1)[C@]23[H] T19433
[2H]C([2H])([2H])OC(=O)\C=C\C(O)=O T19435
CCCCCCCCOC(=O)CCC(O)=O T19436
Br.CS(=O)(=O)SCCN T19437
CCCCCCCCCCCCCCOC(=O)c1cccnc1 T19438
CN(C)C(C)=O T19439
COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 T1944
CCCCCC(=O)CC(=O)NC1CCOC1=O T19440
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)c1ccc(NC(C)=O)cc1 T19441
[2H]c1c([2H])c(c([2H])c([2H])c1NC(C)=O)S(=O)(=O)c1ccc(N)cc1 T19442
CC(=O)NCCc1c[nH]cn1 T19443
O=C(O)CCCCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O T19444
CC(O)CN(CC(C)O)N=O T19445
Cc1ccc(cc1)S(=O)(=O)ONC(=O)OC(C)(C)C T19446
O=C1N(CCCNC[C@@H]2C(C=C(OC)C(OC)=C3)=C3C2)CCC4=CC(OC([2H])([2H])[2H])=C(OC([2H])([2H])[2H])C=C4C1.Cl T19447
Cl.[2H]C([2H])([2H])NCCCN1c2ccccc2CCc2ccc(Cl)cc12 T19448
S=C(N1C2=CC(F)=C(C(N)=O)C=C2)N(C3=CC=C(C(C(F)(F)F)=C3)C#N)C(C(C([2H])([2H])[2H])1C([2H])([2H])[2H])=O T19449
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F T1945
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(N)=O)c(F)c1 T19450
[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)C1([2H])[2H] T19451
[2H]C1=C([2H])C([2H])=C([2H])C([2H])=C1C2OCCNCC3=CC=CC=C32.[H]Cl T19453
C1COC(c2ccccc2)c2ccccc2CN1 T19454
Cl.N[C@@H](CCCCNC(=O)OCC#C)C(O)=O T19455
OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O T19456
ON1CCCCC1C(=O)O[K] T19457
ON1CCCCC1C(O)=O T19458
Cn1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O T19459
NC(=O)OCC(COC(N)=O)c1ccccc1 T1946
Cl.CC(=O)NCCCCNCCCNC(C)=O T19460
CC(=O)NCCCCNCCCNC(C)=O T19461
CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T19464
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1ccnc21 T19465
Cl.Cl.CC(=O)NCCCCNCCCN T19466
[H][C@]12OC(=O)[C@](O)(c3ccc(C)o3)[C@@]1(O)OC[C@@H]2O T19468
[N-]=[N+]=NCc1ncccc1C(=O)n1ccnc1 T19469
CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 T1947
[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T19470
[Na+].[Na+].CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C([O-])=O)C([O-])=O T19472
[2H]C([2H])([2H])N1CCOC(c2ccccc2)c2ccccc2C1 T19473
CC(C)c1cccc(=O)cc1 T19475
O\N=c1\ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]1 T19476
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[n+]1cccc(c1)C([O-])=O T19477
CC1CC(CC(C)(C)C1)OC(=O)C(OC(=O)c1cccnc1)c1ccccc1 T19478
[H][C@]12NC(=O)N(N=O)[C@@]1([H])CS[C@H]2CCCCC(O)=O T19479
COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1 T1948
Cl.[H][C@]12CS[C@@H](CCCCN)[C@@]1([H])NC(=O)N2 T19481
[H][C@]12CS[C@@H](CCCCN)[C@@]1([H])NC(=O)N2 T19482
OC[C@]1(O[C@@H]2[C@@H](Oc3nc(=O)ccn23)[C@@H]1O)N=[N+]=[N-] T19485
OC[C@]1(O[C@H]([C@@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)N=[N+]=[N-] T19486
OC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN4C([2H])([2H])C([2H])([2H])OC([2H])([2H])C4([2H])[2H] T19489
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cc(F)c2nc(N)nn2c1 T1949
OC1=CC=C(CC(C)N(C([2H])([2H])C([2H])([2H])[2H])CCCC(O)=O)C=C1.Cl T19490
[2H]C([2H])([2H])C([2H])([2H])N(CCCC(O)=O)C(C)Cc1ccc(O)cc1 T19491
[2H]C([2H])([2H])[C@]1([2H])Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(O)c2C(=O)O1 T19492
CCCCCCCCCCCCCCCCCC=O T19493
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OC)[C@@]1(C)CCC2=C(C)C T19494
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OC)[C@@]1(C)CCC2=O T19495
OC[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O T19497
[K+].Cc1ccc(OS([O-])(=O)=O)cc1 T19498
O.Cc1ccc(cc1)S(O)(=O)=O T19499
CCCCCC\C=C\CCCCCCCC(O)=O T19500
O.O.O.O.O.[Na+].[Na+].NCCC(O)(P(O)(O)=O)P(O)(O)=O T19501
Cc1ncc(n1CCc1ccncc1)[N+]([O-])=O T19502
CCCCCC\C=C/CCCCCCCCCCCC(O)=O T19504
OC(=O)\C=C/C(O)=O.CN1C[C@H]2[C@H](C1)c1cc(Cl)ccc1Oc1ccccc21 T1951
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNC(=O)C1)c1c(Cl)ccc(F)c1Cl T19510
CN1C(C[C@H](NC([C@@H](N2)CCC2=O)=O)C(N3[C@@H](CCC3)C(N)=O)=O)=CN=C1.OC(C(F)(F)F)=O T19511
CN(CC(O)=O)C(=N)NP(=O)(O[K])O[K] T19515
NCCC1(C[C@H](N)C(O)=O)N=N1 T19516
O=C(O)[C@@H]([NH3+])CC1(N=N1)CC[NH3+].[Cl-].[Cl-] T19517
O=C(NC1=CC=CC=C1N)CCCCCCC(NC2=CC=C(C)C=C2)=O T19519
Cl.Cl.NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 T1952
"O=C(OCCC1NCCCC1)C2=CC=CC=C2N.[F,Cl,Br,I][ClH]" T19520
O=C(O)C(C)OC(CO[H])=O.[x].[y] T19521
OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O T19522
CC1OC1.C1OC1 T19524
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)N2CC3N(CCc4ccccc34)C(=O)C2)C([2H])([2H])C1([2H])[2H] T19527
CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C T19528
Oc1cc(ccc1Cl)-c1nc([nH]c1-c1ccncc1)-c1ccccc1 T1953
Cn1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O T19530
CN(CC#C)c1c(cnn1-c1nn2CCCCc2c1Cl)C#N T19533
CC(=O)C=O T19536
CCOC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 T19537
C[C@@H](O)CCO T19538
CC(C)C[C@@H](O)C(O)=O T19539
FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c2ccncc2)c1 T1954
O[C@@H]([C@H](O)c1ccccc1)c1ccccc1 T19540
CCC(O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O T19541
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCC[N+]2([O-])CCCCC2)cc1 T19545
[H][C@@]12CC[C@](OC(=O)CC)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T19546
[2H]c1c([2H])c(c([2H])c([2H])c1Cl)C(=O)NC(Cc1cc(=O)[nH]c2ccccc12)C(O)=O T19547
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O T19548
COc1ccnc(CSc2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)C4(C)C)c1C T19549
Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O T1955
CN(C)CC(O)COc1ccc(cc1)-c1nc2c(N)nc(N)nc2nc1N T19552
N[C@@H](CC(O)=O)C([O-])=O.[Na+] T19554
[NaH].[CaH2].CCC(NC(C)=O)(P(O)(O)=O)P(O)(O)=O T19555
C\C=C\C=C\C=C/CC\C=C\C(=O)NCC(C)C T19557
[H][C@@]12CC[C@H]([C@H](C)\C=C\C=C\C(O)(CC)CC)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T19559
Nc1n[nH]c2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1 T1956
CCNc1nc(NCC)nc(SC)n1 T19561
N.CCCCCCC(O)CCCCCCCCCCC(=O)OCCO T19562
[H][C@@]12CC[C@H](OC(=O)c3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C T19563
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T19564
OC(=O)CCCCCCC(=O)NCC(O)=O T19566
[Na+].[O-]S(=O)(=O)C1CC(=O)N(OC(=O)CCCc2ccc(cc2)N2C(=O)C=CC2=O)C1=O T19568
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]33CO3)[C@@]2(CO)C[C@@H]1O T19569
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 T1957
CC(C)CC(O[C@H](C(C)=C1)C[C@@]2(CO)[C@]1([H])O[C@]3([H])[C@H](O)[C@@H](O)[C@@]2(C)[C@@]34OC4)=O T19570
Fc1ccc(cn1)-c1ccc2c(c1)[nH]c1ccncc21 T19573
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T19576
O=C(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)NCc1ccccc1 T19578
Cc1ncsc1CCOP(O)(=O)OP(O)(O)=O T19579
C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O T1958
C\C=C(/C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T19581
O=C(O)[13C]NC(C(S)C([2H])([2H])[2H])=O T19582
[Na+].CCN(CC(O)CS([O-])(=O)=O)c1cccc(C)c1 T19585
[Na+].CCN(CCCS([O-])(=O)=O)c1cccc(C)c1 T19586
O.O.O.[Na+].Cc1ccc(cc1)S(=O)(=O)[N-]Cl T19587
CN(C)[C@@H](C=C)c1cc(OCc2ccccc2)no1 T19588
CCCCCCCC\C=C\C(O)=O T19589
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])-c1nc2c(N)nc(N)nc2nc1N T19591
COc1cc(Cc2c[n+]([O-])c(N)nc2N)cc(OC)c1OC T19592
COc1cc(Cc2cnc(N)[n+]([O-])c2N)cc(OC)c1OC T19593
COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O T19594
Cn1nc(O[C@@H]2c3cc(ccc3OC(C)(C)[C@@]2(C)O)S(=O)(=O)c2cccc(O)c2)ccc1=O T19597
O[C@@H]1[C@@H](COP(O)(=O)N2CCOCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O T19598
COc1cc(ccc1O)-c1nc2ccccc2s1 T1960
COc1cc(CC(=O)C(O)=O)ccc1O T19600
OC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 T19601
[H][C@@]12CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T19602
C=CC(=O)Nc1cccc(Oc2ccnc3[nH]ccc23)c1 T19604
O=C(CC)NC1=CC(OC2=C3C(NC=C3)=NC=C2)=CC=C1 T19605
O.O.O.O.O.O.O.[Zn++].[O-]S([O-])(=O)=O T19608
C(=O)(c1cc(ccc1)c1ccc2c(nc(nc2n1)N1[C@H](COCC1)C)N1[C@H](COCC1)C)NC T1961
[H][C@@]12CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C T19610
CCCCCCCCOC(=O)[C@H](O)CCC(O)=O T19611
CCCCCCCCOC(=O)[C@@H](O)CCC(O)=O T19612
[H][C@@]12CC[C@H](\C(C)=C\CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T19613
O=C1CC[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(CO)[C@@H](C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=C1 T19614
OC(=O)[C@H]1Cc2ccccc2CN1 T19616
O=C(O)[C@H](C)CO T19617
Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 T19618
CC(CO)C(O)=O T19619
Cl.N[C@@H](Cc1ccccc1)c1nccs1 T19620
CCc1cccc(C)c1N([C@@H](C)COC)C(=O)CCl T19621
[H]N(C(/C=C\C(O)=O)=O)[C@H](CC(C=C1)=CC=C1C2=CC=CC=C2)C[C@@H](C)C(OCC)=O T19622
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O T19623
O=C([C@H]1CCC(=O)N1)N1CCCCC1 T19624
CCOC(=O)[C@H](C)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(O)=O T19626
Cl.CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 T19628
Cl.C(Oc1cccc2C=CCc12)C1CNCCO1 T19629
CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 T1963
[H][C@@]12Cc3ccccc3CN1C(=O)[C@H](C)N([C@@H](CCc1ccccc1)C(=O)OCC)C2=O T19631
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@@H](CO)[C@@H]1CO T19632
CC(C)CCOC(=O)c1cc(=O)c2c(o1)c1ccc(C)c(C)c1[nH]c2=O T19635
FC(F)(F)c1cccc(Nc2ncccc2C(=O)OCCN2CCOCC2)c1 T19636
Cc1cc2c(Nc3ccccc3NC2=O)s1 T19638
[Br-].[H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1)[N@+]2(C)CCF T19640
COc1cc(C)nn1-c1nc(C)cc(OC)n1 T19641
Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O T19642
OC[C@H]1CN(C2=CC=C(N3CCOCC3)C(F)=C2)C(O1)=O T19645
O=S(C1=C(Cl)C=C(C2=C1)NC(CSCC=C)NS2(=O)=O)(N)=O T19646
NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 T19647
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N T19648
CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc12 T19649
OC(=O)CCC(=O)Nc1ccc(Br)cn1 T1965
CCCCCn1cc(C(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c2ccccc12 T19650
FC(F)OC(Cl)C(F)(F)F T19651
Cc1noc2[C@@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 T19653
NC(=N)NNCCOc1c(Cl)cccc1Cl T19654
O.CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO T19655
Cc1nn(C)c(OS(=O)(=O)c2ccc(C)cc2)c1C(=O)c1ccc(Cl)cc1Cl T19656
CCCc1cnc(NC(=O)[C@@H](C)c2ccc(NC(C)=O)cc2)s1 T19657
FC(F)OC(F)(F)C(F)Cl T19658
[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12C T19659
CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO T1966
Cc1ccc(cc1)-c1nc2CCCN(CCCCCCC(O)=O)c2nc1-c1ccc(C)cc1 T19660
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(Cl)nc12 T19661
[Br-].CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 T19662
CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC T19663
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F T19664
Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N T19666
OC(=O)\C=C1\CN(CCC1S)C(C(=O)C1CC1)c1ccccc1F T19667
[NH4+].[NH4+].[S-][Mo]([S-])(=S)=S T19668
O=S(C1=CC=C(OC)C(N2CCNCC2)=C1)(NC3=CC(Cl)=CC(Cl)=C3OC)=O.[H]Cl T19669
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12)N1CCC(N)CC1 T1967
CON(Cc1ccc(F)cc1)C(=O)\C=C(/O)C(O)=O T19670
COCc1ccc(cn1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 T19671
COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C T19672
c1coc(c1)-c1nc2ccccc2[nH]1 T19673
COCCOc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1 T19675
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C T19677
[H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O T19678
CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1 T19679
O[C@H]1CC[C@H](Nc2nc(NCCCC)ncc2c2ncc(CN3CCOCC3)cc2)CC1 T1968
CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 T19680
O[C@@H](CNC(C)C)COC1=CC=C(CCOCC2CC2)C=C1 T19682
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T19684
CC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 T19686
S=C=NCCc1ccccc1 T19687
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@@H]1F T19688
OC[C@H]1O[C@H](C[C@@H]1F)n1cc(Cl)c(=O)[nH]c1=O T19689
C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1 T1969
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 T19691
C[C@@]1(CSC(=N1)c1ccc(O)cc1O)C(O)=O T19692
Cc1ccc(=O)n(c1)-c1ccc(O)cc1 T19694
CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1 T19695
Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T19696
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T19697
O=C1N2CCCC2Oc2cc3OCCOc3cc12 T19698
Cn1nc(N)c2cn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ncnc1c23 T19699
CC(C)n1nnc2cc(ccc12)C(O)=O T19700
CS(=O)(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1 T19701
Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F T19702
Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C T19703
OC(Cc1ccccn1)(P(O)(O)=O)P(O)(O)=O T19704
CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 T19705
CCCCOc1cc(CC2CNC(=O)N2)ccc1OC T19706
COc1ccc(CCNC[C@H](O)c2ccc(O)cc2)cc1OC T19707
CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O T19708
NCC1CCN(CC1)c1nccc(n1)-c1ccc2ccccc2c1 T1971
CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 T19710
[H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T19711
O=C1C=C[C@@]2([H])CO[C@]1([H])O2 T19712
CCCCCCCc1cc(=O)c2ccccc2[nH]1 T19713
Cc1nn(C)c(Oc2ccccc2)c1\C=N\OCc1ccc(cc1)C(=O)OC(C)(C)C T19714
Cl.CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 T19715
Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O T19716
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[nH]c2ccccc12 T19717
COc1ccc(O)cc1C(C)(C)C T19719
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1 T1972
CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12 T19720
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl T19721
OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O T19722
Cl.Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1 T19723
Nc1ccc(cc1C(O)=O)[N+]([O-])=O T19724
Cl.N[C@@H](Cc1ccc(F)cc1)C(O)=O T19725
N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O T19727
N[C@@H](CSCC#C)C(O)=O T19728
CCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C T19729
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1 T1973
C1COCCOCCOCCO1 T19730
CSc1nc(NC(C)C)nc(NC(C)C)n1 T19733
CCCCCCCC[Si](OCC)(OCC)OCC T19734
Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(CO\N=C(\C2CC2)c2ccc(Cl)cc2)cc1 T19735
ClCCN(CCCl)c1ccccc1 T19736
CCc1ccc(cc1)C(C(Cl)Cl)c1ccc(CC)cc1 T19737
CCNc1nc(Cl)nc(NCC)n1 T19739
CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O T1974
[Na+].Oc1ccc2nc(sc2c1)C1=N[C@H](CS1)C([O-])=O T19743
[Cl-].CC[n+]1c(-c2ccccc2)c2cc(ccc2c2ccc(N)cc12)\N=N\Nc1cccc(c1)C(N)=N T19744
COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C T19745
OC(=O)CSCC(O)=O T19746
Cl.ClCCN(CCCl)CCCl T19747
CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O T19748
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(cnn2C)-c2nnn(C)n2)n1 T19749
CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 T19751
COC(C)(C)CCC[C@H](C)C\C=C\C(\C)=C\C(=O)OC(C)C T19752
CCOc1ccccc1 T19753
[OH-].CCCCCCCCCCCCCCCC[N+](C)(C)C T19754
[Na+].[Na+].[O-]S(=O)(=O)c1ccc2N\C(C(=O)c2c1)=C1/Nc2ccc(cc2C1=O)S([O-])(=O)=O T19755
CS\C(=N/O)C(=O)N(C)C T19757
C[C@H](C1=CC=CC=C1)N=C=S T19758
CS(=O)C[C@@H](N)C(O)=O T19759
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1 T19761
Br.Br.Clc1ccc(CNC(=N)SCCCc2cnc[nH]2)cc1 T19762
Cl.NCC1CCC(CC1)C(=O)Oc1ccc(CCC(O)=O)cc1 T19763
CCOc1ccc(C(=O)CCC(O)=O)c(OCC)c1OCC T19764
OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl T19765
ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O T19766
CCOc1nc(ns1)C(Cl)(Cl)Cl T19767
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 T19768
CC(C)NCC(O)c1ccc(N)c(c1)C#N T19769
C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 T1977
C\C(=C/c1ccc2OCOc2c1)[N+]([O-])=O T19771
[H][C@]12CC(=O)C=C[C@]1(CCN2C)c1ccc(OC)c(OC)c1 T19772
CCOC(=O)c1ccc(nc1)-c1ccc(cn1)C(=O)OCC T19773
Cn1sccc1=O T19774
[H][C@@]12CCC(=O)[C@@]1(C)CCc1c2ccc2cc(O)ccc12 T19776
O=c1onc2cnc3ccccc3n12 T19777
CC(=O)c1ncc([nH]1)[C@@H](O)[C@H](O)[C@H](O)CO T19778
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 T19779
S(Sc1ccccn1)c1ccccn1 T19780
CC1(C)CON(Cc2ccccc2Cl)C1=O T19781
CCCCCCCC[C@H]1CCC(=O)c2[nH]c(C)c(OC)c(=O)c12 T19782
CC(C)c1ccc2c(CC[C@H]3[C@](C)(CN)CCC[C@]23C)c1 T19783
c1csc(c1)-c1ccc(-c2cccs2)c2nsnc12 T19784
NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc1ccccc1)C(O)=O T19788
CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1 T19789
c1(ocnc1)c1c(cc(cc1)NC(=O)Nc1cc(ccc1)[C@@H](NC(=O)O[C@@H](CC#N)CC)C)OC T1979
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O T19790
CCc1ccc(C)c2ccc(C)c2c1 T19791
Cn1c(O)nc2n(C)c(=O)n(C)c(=O)c12 T19792
Cl.CC(C)NCC(O)COc1ccccc1OCC=C T19793
CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F T19794
CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C T19795
CCC(Oc1ccc(F)c(c1)C(F)(F)F)C(=O)NCc1ccccc1 T19796
C[C@@H](C(OC)=O)N(C1=C(C)C=CC=C1C)C(CC2=CC=CC=C2)=O T19797
CNC1=C(C(=O)C(O1)c1ccccc1)c1cccc(c1)C(F)(F)F T19798
CCOC(=O)C(C#N)C1C(C(=O)OCC)=C(N)Oc2ccc(Br)cc12 T1980
CSC(=O)c1cccc2nnsc12 T19801
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F T19802
CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1 T19803
O=S(C1=CC=C(Cl)C=C1)(OC2=CC=C(Cl)C=C2)=O T19804
CC1COc2ccccc2N1C(=O)C(Cl)Cl T19805
[O-][N+](=O)C1(Br)COCOC1 T19808
CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1 T19809
CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C T19810
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C(C)=C[C@@]21[H] T19811
CCCn1cnc2n(C)c(=O)n(CCCCC(C)=O)c(=O)c12 T19812
COCCOc1cc2nc[nH]c(=O)c2cc1OCCOC T19814
COP(=S)(OC)Oc1ccc(cc1)S(N)(=O)=O T19815
CC1(C)CNC(NC1)=NN=C(\C=C\c1ccc(cc1)C(F)(F)F)/C=C/c1ccc(cc1)C(F)(F)F T19816
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1 T19817
OC(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl T19819
NC(=S)N\N=C\c1ncccc1N T1982
[Na+].[O-]S(=O)(=O)CCCN1CCOCC1 T19820
COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C T19821
CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1 T19822
CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C T19823
Cl.CCOc1ccc(\C=C2/NCCc3cc(OCC)c(OCC)cc23)cc1OCC T19824
OC[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O T19825
COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C T19826
Cl.Cl.NC(=N)c1ccc(cc1)-c1cc2ccc(cc2[nH]1)C(N)=N T19827
OC[C@@H](O)[C@@H](O)C=O T19828
CCOCn1c(c(C#N)c(Br)c1C(F)(F)F)-c1ccc(Cl)cc1 T19829
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO T1983
COP(=S)(OC)Oc1ccc(cc1Cl)[N+]([O-])=O T19830
[Na+].NC(=O)C([O-])=O T19831
[Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 T19832
OC(=O)c1[nH]c(=O)[nH]c(=O)c1F T19833
Nc1ncc2[nH]cnc2n1 T19836
Oc1ccc(C2C=C3Oc4c(NC3=CC2=O)ccc(O)c4-c2ccc(O)cc2O)c(O)c1 T19837
[O-]c1nc2ccccc2n1CCC[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1 T19839
CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O T19841
CC(COc1ccc(cc1)C(C)(C)C)OS(=O)OCCCl T19842
CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 T19845
Cn1c(cc(=O)n(-c2ccc(Cl)c(c2)C(=O)OC(C)(C)C(=O)OCC=C)c1=O)C(F)(F)F T19846
CCN(OC(=O)c1ccccc1)C(=O)c1c(OC)ccc(Cl)c1OC T19847
COc1cc2nc(nc(N)c2cc1OC)N1CCNCC1 T19849
COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC T1985
CCN(CC)C(=O)CSc1ccc(Cl)nn1 T19851
COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O T19852
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC T19853
CC(O)(C)C(O)COC1=CC=C2C(OC)=C3C(OC=C3)=NC2=C1OC T19854
Sc1nc2ccccc2s1 T19856
OC(=O)CNCP(O)(O)=O T19857
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br T19858
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1 T19859
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO T19860
O=C(O)C(N)CCP(O)(O)=O T19863
OC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F T19864
COc1ccc(C=O)cc1OC1CCCC1 T19865
OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O T19866
CCCCOc1ccc(NC(=S)Nc2ccc(cc2)N(C)C)cc1 T19868
[H][C@@]12CC=C([C@@H](C)C\C=C\C(O)(CC)CC)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](F)C1=C T19869
Fc1cc(cc2CCNCc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(F)(F)F)C(=O)N1CCCC1 T1987
CC(=O)OC1CN2CCC1CC2 T19870
CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\c1ccc(OCCN(C)C)cc1 T19871
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]21C T19876
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 T19877
c1cc(c2c(c1)cc(n(c2=O)c1ccccc1)[C@@H](Nc1ncnc2c1[nH]cn2)C)Cl T1988
C[C@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C T19880
OC(=O)c1cc2cc(Br)ccc2oc1=O T19881
[H][C@@]12CCC3=C(CC[C@@]4(C)[C@]5([H])C[C@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C T19882
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(=O)[C@H](C)N[C@@H](CC(O)=O)C=O T19883
CO\C(\C=C\c1ccccc1)=C1\C(=O)C=C(OC)C1=O T19885
COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 T19886
FC(Br)C(F)(F)F T19887
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(O)=O T19888
N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(O)=O T19889
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O T1989
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(O)=O T19890
CCc1cccc(C)c1N([C@H](C)COC)C(=O)CCl T19891
CN(C)C1=NC(=O)C(O1)c1ccccc1 T19893
CCCCc1c(O[Na])n(-c2ccccc2)n(-c2ccccc2)c1=O T19894
CN(C)C(=O)Nc1ccc(C)c(Cl)c1 T19895
OCCOc1ccc2ccccc2c1 T19897
COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 T19898
Oc1ccc(c2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O)[N+]([O-])=O T19900
[Na+].Oc1cc(c2cc(ccc2c1\N=N\c1ccc2ccccc2c1O)[N+]([O-])=O)S([O-])(=O)=O T19901
[Na+].Oc1ccc(cc1\N=N\c1c(O)ccc2ccccc12)S([O-])(=O)=O T19902
OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)[N+]([O-])=O T19903
[Ca++].[O-][SiH]([O-])=O T19904
[Na+].Oc1ccc2ccccc2c1\N=N\c1c(O)cc(c2ccccc12)S([O-])(=O)=O T19905
O=C1NC(C(C)=CN1[C@@H]2O[C@H](COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[C@@H](O)C2)=O T19906
[Na+].Oc1ccc2ccccc2c1\N=N\c1ccc(c2cc(ccc12)[N+]([O-])=O)S([O-])(=O)=O T19908
[Na+].CC1=NN(C(=O)C1\N=N\c1c(O)cc(c2ccccc12)S([O-])(=O)=O)c1ccccc1 T19909
Cl.Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O T1991
COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 T19910
Cl.Cl.NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12 T19913
Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl T19914
[Na+].C[As](O)([O-])=O T19915
FC(F)(F)c1ccccc1-n1ccnc1 T19916
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1 T19917
O=C([O-])C[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC([C@@H](C)CC)=O)[C@]12[H].[Na+] T19918
[Cl-].C[S+](C)CC[C@H](N)C(O)=O T19919
C(=C/c1cccc2ccccc12)\c1ccncc1 T19920
CC(C)(SC(=O)N1CCCCC1)c1ccccc1 T19921
N[C@@H](Cc1cccc(O)c1)C(O)=O T19922
CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@H](O)C2 T19923
C[C@@H](O)CCc1ccc(O)cc1 T19924
Clc1cnn(Cc2ccccc2)c(=O)c1Cl T19925
Cl.NCCO\C=C\[C@H](N)C(O)=O T19926
CN\C(NCCS(=O)Cc1ccc(CN(C)C)o1)=C/[N+]([O-])=O T19929
COc1cccc(\C=N\N(C(=O)C(F)(F)F)c2ccc(C)cc2C)c1 T1993
N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(O)=O)C(O)=O T19930
Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 T19931
COc1cc(O)c2c(c1)oc1ccc(O)c(O)c1c2=O T19932
COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 T19933
COc1cccc2c1[nH]c1c(C=C)ncc(OC)c21 T19934
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1 T19935
[Cl-].CCN(CC)c1ccc2cc3ccc(cc3[o+]c2c1)N(CC)CC T19937
CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1 T19938
CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(cc2F)C#N)cc1 T19939
CC(c1ccc(nc1)C(F)(F)F)S(C)(=O)=NC#N T19940
O=C(ON1C(=O)CCC1=O)c1cccc(c1)N1C(=O)C=CC1=O T19941
BrCC(=O)ON1C(=O)CCC1=O T19942
O=C(CCCc1ccc(cc1)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O T19943
O=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O T19944
O=C(n1ccnc1)n1ccnc1 T19945
C1CCC(CC1)N=C=NC1CCCCC1 T19946
CO\C=C(\C(=O)OC)c1ccccc1CO\N=C(/C)\C=C\c1ccc(Cl)cc1 T19951
[Na+].[O-]S(=O)(=O)C1CC(=O)N(OC(=O)CCCCC2SCC3NC(=O)NC23)C1=O T19952
OC(=O)c1nc(Cl)ccc1Cl T19953
Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(F)cccc1F T19954
O=C1C=CC(=O)N1c1ccc(Cc2ccc(cc2)N2C(=O)C=CC2=O)cc1 T19957
Cl.N=C1CCCS1 T19958
CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O T19959
CC1CCC=C(C)[C@]11CC[C@H](C1)C(C)(C)O T19960
Cc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)c(C)c1 T19961
CC1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O T19962
OC(=O)CN(CC(O)=O)Cc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O T19963
CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 T19964
O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 T19965
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 T19966
OC(=O)c1cc(ccc1O)-n1c2CCc3ccccc3-c2cc1-c1ccccc1 T19967
Cc1ccc(SSc2ccc(C)cc2C)c(C)c1 T19968
Cc1ccc(\N=c2/sccn2C)c(C)c1 T19969
COc1ccc(cc1)-c1cnco1 T19972
CC(=O)Nc1cc(ccc1O)[As](O)(O)=O T19973
NCCOCCOCCOCC#C T19974
Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 T19975
ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl T19976
[Na+].O=C1[N-]S(=O)(=O)c2ccccc12 T19977
COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1 T19978
O=C(C1=C2C=CC=C1)[N-]S2(=O)=O.[H]O[H].[Na+] T19979
Clc1ccc(OCCCCCCNC(NC#N)=Nc2ccncc2)cc1 T1998
C[N+]1(C)C[C@H](O)C[C@H]1C([O-])=O T19980
Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O T19981
CCO\N=C(\CC)C1=C(O)CC(CC1=O)c1c(C)cc(C)cc1C T19982
CCOC(=O)Cc1n[nH]c2ccc(Cl)cc12 T19983
COP(=S)(OC)SCC(=O)N(C)C=O T19985
S=[Mo]=S T19986
Oc1ccccc1-c1nnco1 T19987
[Na+].CC12CCC3C(=CCc4cc(OS([O-])(=O)=O)ccc34)C1CCC2=O T19988
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O T1999
C1CN2C(CN1)c1ccccc1Cc1cccnc21 T19991
O=C1NC(=O)C2C3CC(C=C3)C12 T19992
[Na+].Oc1ccc(\N=N\c2ccc(cc2)S([O-])(=O)=O)c(O)c1 T19993
CCCc1nn(C)c2c1[nH]c(nc2=O)-c1cc(ccc1OCC)C(=O)CN1CCCCC1 T19994
CC(=O)CC(=O)Nc1ccc(cc1C)-c1ccc(NC(=O)CC(C)=O)c(C)c1 T19995
COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl T19996
Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1 T19997
[H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(CC)C2=O)c1ccc2OCOc2c1 T19998
O[C@H]1CCCC2=C1C=CC=C2 T19999
[Na+].CC(OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC([O-])=O)cc1)c1ccccc1 T2000
OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 T20000
CCCCOC(=O)c1ccccc1 T20001
Cl.CNc1ccc2cc3cc\c(cc3oc2c1)=N/C T20002
Oc1c2ccccc2nc2ccccc12 T20003
CCCCCCCCCCCCCC(=O)OC(C)C T20005
CCCCCCCCCCCCCCCC(=O)OC(C)C T20006
CN(C)CCCCNC1=C(C=CC(Br)=C2)C2=NC3=C(OC)C=CC=C31.[H]Cl.[H]Cl T20007
CC(=C)C(=O)OCC1CO1 T20009
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 T2001
NC1(C2CC3CC(C2)CC1C3)C(O)=O T20013
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 T20016
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc12 T20017
[Cl-].CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccccc1 T20019
CCc1cncnc1N1CCN(Cc2nc3cc(ccc3[nH]2)C(F)(F)F)CC1 T2002
Cl.CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C T20020
O.[H][C@@]12SCC(C)=C(N1C(=O)[C@@H]2NC(=O)C(N)c1ccccc1)C(O)=O T20022
O=C(C(C(C[C@]1([H])[C@H]2[C@H](O)C)=O)N1C2=O)OCC3=CC=C([N+]([O-])=O)C=C3 T20023
O=C([C@@]1([H])CC2=C([C@@H](C3=CC=C(OCO4)C4=C3)N15)NC6=C2C=CC=C6)N(C)CC5=O T20024
CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 T20025
OCC1CN(Cc2ccccc2)C(=O)C1 T20026
Cl.CCCCNC(=N)NC(N)=N T20029
O=C(NC1CC1)c1cc(on1)-c1cccs1 T2003
Cc1ccccc1\N=N\c1c(O)ccc2ccccc12 T20035
Nc1[nH]c(F)nc2ncnc12 T20038
Cn1cnc2ncnc(N)c12 T20039
OC(=O)\C=C/C(O)=O.O=C(C1CC1)c1ccc(OCCCc2c[nH]cn2)cc1 T2004
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 T20041
Nc1ncnc2[nH]nnc12 T20042
C(Nc1ncnc2n(cnc12)C1CCCCO1)c1ccccc1 T20044
Nc1ncnc2n(Cc3ccccc3)cnc12 T20047
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O T20048
O=C(N)/C=C/C1=CC=CC=C1 T20050
CCCCC\C(C=O)=C\c1ccccc1 T20051
CC(=O)OC1CC2CC1C1CC=CC21 T20053
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O T20054
O.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]1O T20055
CCN(CC)CCc1nc(no1)-c1ccccc1 T20056
OC(Cc1ccccc1Cl)(Cn1[nH]cnc1=S)C1(Cl)CC1 T20058
COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1 T2006
[Na+].[Na+].Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O T20060
[H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T20063
CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC T20064
[Na+].[Na+].[O-]S(=O)(=O)c1ccc2Nc3cc4=Nc5cc(ccc5Nc4cc3=Nc2c1)S([O-])(=O)=O T20065
COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C T20066
N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(O)=O T20069
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC T20071
COC(=O)NS(=O)(=O)c1ccc(N)cc1 T20073
[Na+].CCCCCCCCCCCCOS([O-])(=O)=O T20075
CCCC(O)P(C(O)CCC)C(O)CCC T20078
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 T2008
Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O T20080
C[C@H]1CN(C[C@H](Cc2ccccc2)C(O)=O)CC[C@@]1(C)c1cccc(O)c1 T20081
CCCCCCCCCCCCCCCCCCN(C)C T20082
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO T20083
CC(C)NNC(=O)c1ccncc1 T20085
O=C1CCCCCCCCCCCCCCCO1 T20086
O=C(NC1=C(C)C=C(C)C=C1C)CN(CC)CC T20088
O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1 T2009
CCCCCCCCCCCCCCCCCC(N)=O T20091
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1 T20092
N(c1ccccc1)c1ccc(Nc2ccccc2)cc1 T20093
CN1CC(O)C2=CC(=O)C(=O)C=C12 T20094
CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 T20096
CC(C)(C)OC(=O)CCOCCOCCOCCN T20098
O=C(C1N(CCCC)CCCC1)NC2=C(C)C=CC=C2C.[H]Cl T20099
Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl T20100
[S-]C(=S)NCCNC1=S[Zn++][SH-]1 T20101
Oc1ncnc2[nH]nnc12 T20102
CCOC(=O)C1=NOC(C1)(c1ccccc1)c1ccccc1 T20103
COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2O)c1 T20104
CCOc1ccccc1NC(=O)c1cc2ccccc2cc1O T20106
[H][C@@]12[C@@H]([C@@H](C)O)C(=O)N1C(C(O)=O)=C(S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(O)=O)[C@@H]2C T20107
Cl.Cl.NCCSSCCN T20109
COc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 T2011
S=C1NCCN1 T20110
[Na+].CC(C)OC([S-])=S T20111
c1ccc(cc1)[Bi](c1ccccc1)c1ccccc1 T20112
OC(CC(O)=O)C(O)=O T20113
OC(=O)[C@H]1CCCNC1 T20114
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O T20115
CC(C)(S)[C@H](N)C(O)=O T20118
[Na+].[Na+].Cc1cc(C)c(cc1C)\N=N\c1c(O)c(cc2cc(ccc12)S([O-])(=O)=O)S([O-])(=O)=O T20119
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 T2012
CC(=O)O[C@H](C(O)=O)c1ccccc1 T20120
N[C@@H](CNC(N)=O)C(O)=O T20121
[Cl-].C[N+](C)(C)C[C@H](O)CC(O)=O T20123
N[C@@H](CSCC(O)=O)C(O)=O T20124
C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O T20125
Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T20126
[H][C@@]12CN(CC(=O)N1CCc1ccccc21)C(=O)C1CCCCC1 T20127
CCSCC[C@@H](C(O)=O)N T20128
C#CCC(C(=O)O)N T20129
OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 T2013
Cl.C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1 T20131
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F T20132
Cl.CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1 T20133
CN(C)C(=O)C(c1ccccc1)c1ccccc1 T20135
CNC(=O)CSP(=S)(OC)OC T20137
N[C@@H](Cc1cscn1)C(O)=O T20138
CNC(=O)O\N=C(/C)C(C)SC T20139
CC(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 T2014
O[C@H]1C[C@@H](O)[C@H](\C=C\C(F)(F)COc2ccccc2)[C@H]1C\C=C/CCCC(O)=O T20142
CCCCc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1 T20143
CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C T20147
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1 T2015
Oc1cc2ccccc2cc1C(=O)Nc1ccccc1 T20150
Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O T20151
FC(F)C(F)(F)OCC(Cn1cncn1)c1ccc(Cl)cc1Cl T20152
CCCCCCCCc1ccc(CCC(CO)(CO)NC(C)=O)cc1 T20153
CCCC(=O)OC\C=C(/C)CCC=C(C)C T20154
Cc1c(OCC(F)(F)F)ccnc1CS(=O)(=O)c1nc2ccccc2[nH]1 T20155
[H][C@@]12CCc3ccc(O)cc3[C@@]1([H])OCCN2CCC T20156
Brc1c(NC2=NCCN2)ccc2nccnc12 T20157
NC(=N)NC(=N)NCCc1ccccc1 T20158
C[C@H](NC(=O)[C@H](C)NC(=O)C(N)CCP(=O)CO)C(O)=O T20159
COP(=O)(N[C@@H](C)C(O)=O)O[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O T20160
CCCCCCCCCCCC(=O)N[C@@H](C)C(O)=O T20161
[Na+].CCCCCCCCCCCC(=O)NC(C)C([O-])=O T20162
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C(O)=O T20163
C[C@@H](N(C1C(C)(C)SC1(C)C)C(=O)[C@@H](N)CC(O)=O)C(N)=O T20165
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O T20167
[Na+].[Na+].[O-]C(=O)CC(S[Au])C([O-])=O T20168
OC(=O)Cc1c(Cl)ccc(Cl)c1Cl T20169
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 T2017
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O T20172
CC(O)=O.N=C(N)NCCC[C@@H](C(O)=O)NC([C@H](CC1=CC=C(O)C=C1)N)=O T20172L
O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC[C@H](O)c1ccc(O)c(O)c1 T20173
Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1 T20175
CNc1ccc(Nc2ccc(C)cc2)c2C(=O)c3ccccc3C(=O)c12 T20176
O=C1c2ccc3nc(sc3c2C(=O)c2ccc3nc(sc3c12)-c1ccccc1)-c1ccccc1 T20177
[Na+].CNC([S-])=S T20178
Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 T2018
Cc1cc(Cl)cc2S\C(C(=O)c12)=C1\Sc2cc(Cl)cc(C)c2C1=O T20183
Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)-c1nc2cc3C(=O)c4ccccc4C(=O)c3cc2o1 T20184
CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 T20186
C=O.NC(N)=O T20188
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 T20189
O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1 T2019
CCCCCCCC/C=C\CCCCCCCCO T20190
O=C([C@]1(C)C(C)(C)[C@H](C(O)=O)CC1)O T20191
CCOP(=S)(OCC)Oc1cc(on1)-c1ccccc1 T20192
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[N+](C)(C)C[C@H](O)CC([O-])=O T20193
CC1CC(C)(C)c2cc(C(C)=O)c(C)cc2C1(C)C T20194
O=C1NCCCCC1.O=C2NCCCCC2.O=C3NCCCCC3.Cl[Cu]Cl T20195
[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1)C(O)=O T20196
[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1 T20197
[K+].OCC(O)C(O)C(O)C(O)C([O-])=O T20198
Cl.COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC T20199
[O-][N+](=O)c1cn(CCN2CCOCC2)cn1 T2020
OC(CC(O)=O)C(O)=O.N[C@@H](CCCNC(N)=O)C(O)=O T20200
[Na+].CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S([O-])(=O)=O T20201
OCC(COCC=C)(COCC=C)COCC=C T20202
CCCCCCCCCCCCCCC\C=C\c1nccn1CCO T20205
OCNC(=O)NCO T20206
CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc23)c2cc(O)c(O)cc12 T20207
CCN1C(c2ccccc2)c2cc(N)ccc2-c2ccc(N)cc12 T2021
C=CC1OCC2(CO1)COC(OC2)C=C T20210
O=C1OC[C@H](Cc2ccc3OCOc3c2)\C1=C/c1ccc2OCOc2c1 T20212
[OH-].[OH-].[OH-].[Cl-].[Cl-].[Cu++].[Cu++] T20213
CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H]2COP(O)(=O)O[C@H]2[C@H]1OC(=O)CCC T20214
CC(=O)N[C@@H](CSc1cc(NC(C)=O)ccc1O)C(O)=O T20215
[H][C@]12CC[C@@]34C[C@@H](CC=C3[C@]1(C)CCC[C@@]2(C)C(O)=O)C(=C)C4 T20217
CC(C)=C[C@H]1[C@@H](C(=O)O[C@@H]2CC(=O)C(CC=C)=C2C)C1(C)C T20218
CC(C)=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C T20219
Oc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O T20220
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F T20222
C[C@H](\C=C\C=C(\C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O T20223
O[C@@H](CS)[C@@H](O)CS T20224
[H][C@]12Cc3cc(OC)c(OC)cc3-c3c4OCOc4cc(CCN1C)c23 T20225
OC[C@H](O)[C@H](O)C=O T20229
Cn1cc(\C=C\C(=O)c2cccc(F)c2)cc1\C=C\C(=O)NO T2023
[Na+].Cc1ccc(cc1)N1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S([O-])(=O)=O T20230
CC(C)=CCc1c(O)c(O)cc(C2=CC=C3CC(=C(O)C=C3O2)C(C)(C)C=C)c1CC=C(C)C T20232
c1ccc2nc3ccccc3nc2c1 T20233
CC1(CCCCC1)C(=O)Nc1ccc(O)c(Cl)c1Cl T20237
c1ccc2c(c1)oc1ccccc21 T20238
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1 T2024
O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1 T20241
CC(C)c1cc(Cl)c(C)cc1O T20242
N(C(Nc1ccccc1)=Nc1ccccc1)c1ccccc1 T20246
CN(C)C(=O)SCCCCOc1ccccc1 T20249
Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1 T2025
Oc1ccccc1C(=O)Oc1ccccc1 T20250
CCCCOCCOCCOC(C)=O T20251
N=C(Nc1ccccc1)Nc1ccccc1 T20253
CC1(C)SC2C(NC(=O)C(c3ccccc3)S(O)(=O)=O)C(=O)N2C1C(O)=O T20254
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O T20255
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO T20256
COC(=O)c1ccc(OC)cc1 T20257
COc1ccc(cc1)-c1ccccc1 T20259
CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2C(CCc12)NCCO T2026
CCCOC(=O)c1ccc(N)cc1 T20260
N#Cc1ccc2ccccc2c1 T20261
N[C@@H](CCC(O)=O)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O T20262
CC(=S)Nc1ccccc1 T20263
C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O T20264
[Na+].[Na+].[Na+].[Na+].OC(=O)CCC(N(CC(O)=O)CC(O)=O)C([O-])=O T20266
Cc1ncc(CO)c(\C=N\[C@@H](CCC(O)=O)C(O)=O)c1O T20267
CCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCC T20269
Clc1ccc(OCC(NC2CCC(NC(COc3ccc(Cl)cc3)=O)CC2)=O)cc1 T2027
CCCCCCCCCCCCCCCCCC(=O)OCCCC T20270
CCCCOP(=O)(OCCCC)OCCCC T20271
CCOC(=O)CCCCC(=O)OCC T20272
CCCCCOC(=O)c1ccccc1C(=O)OCCCCC T20273
O=C(OCc1ccccc1)c1ccccc1C(=O)OCc1ccccc1 T20274
CCCCCCCCCCCCCC#N T20275
Cc1c(Cl)cccc1[N+]([O-])=O T20277
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 T2028
CCCCCCCCCCCCc1ccccc1 T20280
CCCCCc1ccc(O)c(CCCCC)c1 T20282
Clc1ccccc1Nc1nc(Cl)nc(Cl)n1 T20283
[O-]\[N+](=N/c1ccccc1)c1ccccc1 T20284
Nc1ccccc1I T20285
Cc1ccccc1OP([O-])([O-])=O T20287
CCOP(=O)(OCC)OCC T20288
CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12 T2029
S1c2ccccc2Sc2ccccc12 T20290
CC(C)CCOCc1ccccc1 T20292
OCCOc1ccccc1 T20293
COc1cccc(O)c1 T20294
CC(=O)N(c1ccccc1)c1ccccc1 T20295
CCOc1ccccc1NC(C)=O T20296
CCOc1cccc(O)c1 T20297
C/C(C)=C\C=C\C(C)=C\C T20298
OC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1 T2030
O=C(NNc1ccccc1)NNc1ccccc1 T20300
COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1 T20301
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@H]2C(CO)=O)[H] T20302
O=C(/C=C/C1=CC=CC=C1)/C=C/C2=CC=CC=C2 T20303
O=C(C(=O)c1ccccc1)c1ccccc1 T20305
CC(C)COC(=O)CCCCC(=O)OCC(C)C T20306
C(Oc1ccc2ccccc2c1)c1ccccc1 T20307
CCOc1ccccc1Br T20308
COc1ccc(CO)cc1 T20309
CSc1ccccc1NC(C)=O T2031
CCCCCOC(=O)CCCC T20310
O=CCCc1ccccc1 T20312
CC(C)N1C(=O)c2ccccc2C1=O T20313
O=C1N(C)C(C2=C1C=CC=C2)=O T20314
CCCCCSCCCCC T20315
Clc1ccc2ccccc2c1 T20317
C(=N/c1ccccc1)\c1ccccc1 T20318
Oc1c(Br)c(Br)c(Br)c(Br)c1Br T20319
COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC T2032
CCOC(=O)C(O)c1ccccc1 T20321
CC(C)OC(=O)c1ccccc1C(=O)OC(C)C T20322
C(N(Cc1ccccc1)Cc1ccccc1)c1ccccc1 T20323
CCCC(=O)c1ccccc1 T20324
CCCCOC(=O)\C=C\c1ccccc1 T20325
COc1ccccc1OC T20326
c1ccc(cc1)C(c1ccccc1)c1ccccc1 T20327
CC(C)=CCCC(C)(OC(=O)\C=C\c1ccccc1)C=C T20329
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1 T2033
O=C(O)CC[C@@H](C(O)=O)NC(CCCCCCCCCCC)=O T20330
[Na+].CCCCCCCCCCCC(=O)NC(CCC(O)=O)C([O-])=O T20331
C=CCOC(=O)c1ccccc1C(=O)OCC=C T20333
OC(C(=O)c1ccco1)c1ccco1 T20334
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC T20335
CC(C)COC(=O)c1ccc(N)cc1 T20336
CN(Cc1cnc2[nH]c(N)nc(=O)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T20338
CN(Cc1nc2c(N)nc(N)[nH]c2nc1=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T20339
COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC T2034
Nc1nc(=O)c2N=C(CN(C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 T20340
[Na+].[Na+].[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)c(c1)S([O-])(=O)=O T20341
O=C(CC(C(OCCCC)=O)(OC(C)=O)CC(OCCCC)=O)OCCCC T20342
[Br-].CC(=O)OCC[N+](C)(C)C T20344
CC(=O)CC(=O)c1ccccc1 T20345
O\N=C\c1ccccc1O T20346
O=C(Cc1ccccc1)c1ccccc1 T20347
CCOC(=O)c1ccc(cc1)C(=O)OCC T20349
COc1cc2ncnc(Nc3ccccc3)c2cc1OC T2035
O\N=C\c1ccccc1 T20350
CCOC(=O)C(=O)c1ccccc1 T20351
CCOC(=O)\C=C(/C)Nc1ccccc1 T20352
CC(=O)Oc1ccc(cc1)C(C)=O T20353
Nc1nc(=O)c2C(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)Nc2[nH]1 T20355
CC(=O)C(c1ccccc1)c1ccccc1 T20356
CCCCOB(OCCCC)OCCCC T20357
CC(=O)Oc1ccc(OC(C)=O)cc1 T20358
CCOC(=O)c1ccc2ccccc2c1 T20359
CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1 T2036
ClC(c1ccccc1)c1ccccc1 T20360
Cc1ccccc1C(=O)c1ccccc1 T20361
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O T20362
CC(C)CC(=O)c1ccccc1 T20363
N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O T20364
[K+].NC(CCC(O)=O)C([O-])=O T20365
Cn1cccc1-c1cccnc1 T20366
CCN(CC)C=O T20367
COC(OC)(OC)c1ccccc1 T20368
CC(C)(C)C(=O)c1ccccc1 T20369
Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl T2037
OCCCCc1ccccc1 T20370
CCC(=O)c1ccccc1O T20371
CCCCC(=O)c1ccc(O)cc1 T20372
c1ccn(c1)-c1ccccc1 T20373
OC(=O)CCCC1CCCCC1 T20374
Clc1ccc(CC#N)c(Cl)c1 T20375
CCC(O)C(=O)CC T20376
CCCC(=O)c1cccs1 T20377
CCCCCCCCCCCCC(O)CO T20378
OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O T2038
CCOC(=O)CC1CCCCC1 T20380
CCCCCCCCC1OC1CCCCCCCC(O)=O T20381
NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T20382
CC1(C)C2CC1[C](CCO)(CC([O-])=O)=CC2 T20383
CC(C)CC(O)CC(C)C T20384
OC(C=C)C(O)C=C T20385
O=C1CCCCCN1 T20386
CCCOC(=O)C(C)=C T20387
CCn1c2ccccc2c2ccccc12 T20388
CC(=O)c1cccc(O)c1 T20389
NC(N)=NC#N T20390
CCCCCCCCCCCCCCCCCC#N T20391
Br.CN1C2CCC1CC(C2)OC(=O)[C@H](CO)c1ccccc1 T20392
Clc1ccc(cc1)C(=O)OC(=O)c1ccc(Cl)cc1 T20393
COC(=O)COc1ccc(Cl)cc1Cl T20394
CN(C)C1=S[Fe+3]234([SH-]1)[SH-]C(=S2)N(C)C.CN(C)C([SH-]3)=S4 T20395
N[C@@H](Cc1cc(O)c(O)cc1O)C(O)=O T20396
Cc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O T20397
OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO T20399
O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1 T2040
Nc1cc(ccc1O)S(O)(=O)=O T20400
C[C@@H]1[C@H]2C[C@@H](C[C@H]1O)C2(C)C T20401
COc1cc(CC=C)c(OC)c2OCOc12 T20402
Sc1cccc2ccccc12 T20404
[O-][N+](=O)C1CCCCC1 T20405
CC[C@H](C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O T20406
[Cl-].CC[N+](CC)(CC)Cc1ccccc1 T20407
C\C(=N/O)\C(\C)=N\O T20408
O\N=C(\C(O)c1ccccc1)c1ccccc1 T20409
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC T2041
O=C1C=Cc2ccccc2C1=O T20410
OC(=O)c1cc(I)c(O)c(I)c1 T20411
CCCCOP(=O)(CCCC)OCCCC T20412
OC(=O)Cc1ccc(cc1)[N+]([O-])=O T20414
OP(=O)c1ccccc1 T20416
OS(=O)(=O)c1ccccc1 T20417
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1Cl T2042
C(NCc1ccccc1)c1ccccc1 T20423
CC(C)C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(O)=O T20426
Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl T20427
OC(=O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O T20428
CCOc1cccc(c1)[N+]([O-])=O T20429
Cc1ccccc1C(N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCCC1 T2043
Ic1ccccc1-c1ccccc1 T20431
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O T20433
O=c1[nH]c2ccccc2[nH]c1=O T20436
OCC1(CCC([O-])=O)CCCO1 T20437
CC(=O)c1ccc(OCC(O)=O)cc1 T20438
CC(C)OC(=O)\C=C\C(=O)OC(C)C T20439
CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1 T2044
CC(O)C(=O)OCc1ccccc1 T20440
CCCCCC[C@@H]1C(C[C@H](C\C=C/C\C=C/CCCCC)OC(=O)[C@H](CC(C)C)NC=O)OC1=O T20441
O=C(OC(=O)c1cccnc1)c1cccnc1 T20442
CC(C)C[C@@H](C(O)=O)NC([C@H](CC1=CC=C(O)C=C1)N)=O T20443
CC(C)CC(N)C(=O)Nc1ccc(cc1)[N+]([O-])=O T20445
COc1cc(C)ccc1O T20446
CC(C)=CCC[C@@](C)(O)C=C T20447
CC1CCc2ccccc2N1 T20448
CC(=O)c1ccccc1Cl T20449
COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC T2045
ClCc1cccc2ccccc12 T20450
OC(C(=O)OCc1ccccc1)c1ccccc1 T20451
NC(=O)CC#N T20453
NC(=O)Nc1ccc(Cl)cc1 T20454
CCOc1ccc(cc1)C(O)=O T20455
ClCCCCC#N T20456
CC(=O)Oc1ccc(cc1)C(O)=O T20457
NCCCCC(N)C(O)=O.CC(=O)Oc1ccccc1C(O)=O T20458
CCN(CC)C(=O)c1ccc(C)cc1 T20459
[O-][N+](=O)c1cncn1CCN1CCOCC1 T2046
CC(=O)CCc1ccc2OCOc2c1 T20460
CCOc1ccc(cc1)C(=O)OC T20461
NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O T20462
CCCCOc1ccc2ccccc2c1 T20464
CC(=O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 T20465
CC1(C)COC(=O)C1=O T20466
CC(=O)OCc1ccc(C)cc1 T20468
CCOC(=O)c1cccc(O)c1 T20469
COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC T2047
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O T20470
[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O T20471
Oc1ccccc1CC=C T20472
CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC T20473
NC(=O)Nc1ccc(cc1)[As](O)(O)=O T20474
CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C T20475
CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(O)=O T20476
NCCCCCCCCCCCCN T20478
c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1 T2048
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(O)=O T20482
O=C(O)CNC([C@H](CCSC)N)=O T20483
CC(=O)CC(=O)Nc1ccc(Cl)cc1 T20484
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2 T20485
Clc1ccc(cc1)S(=O)(=O)c1ccccc1 T20487
CC(C)c1ccc(cc1)C(O)=O T20488
O=C1O\C(=C/c2ccccc2)c2ccccc12 T20489
FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F T2049
CC1=C(SCCO)C(=O)c2ccccc2C1=O T20491
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC T20493
[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl T20495
[Cl-].CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccccc1Cl T20497
CC(C)(C)C(=O)Nc1ccccc1 T20498
Clc1ccc(cc1)C(N1CCNCC1)c1ccccc1 T20499
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 T2050
[N]1(CC[N]2=Cc3c4cccc3)=Cc5c([O-][Co+2]12[O-]4)cccc5 T20500
CCCCCCCC\C=C\C(=O)N[C@@H](Cc1ccccc1)C(O)=O T20501
O=C(O)[C@H](CC1=CC=CC=C1)NC(CC2=CNC3=C2C=CC=C3)=O T20502
CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC T20503
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T20504
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl T20505
NC(=O)NC(=O)\C=C/C(O)=O T20506
OC(=O)c1c(Cl)c(Cl)c(C(O)=O)c(Cl)c1Cl T20507
CCC\C=C/CCCCCCCOC(C)=O T20508
c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 T20509
Nc1nc(S)c2ncn(OC3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 T20511
C[C@H](CSSC[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O)C(=O)N1CCC[C@H]1C(O)=O T20512
NNc1nc2ccccc2s1 T20513
Cn1cnc(c1Sc1[nH]c(N)nc2ncnc12)[N+]([O-])=O T20514
O=C([C@@H]1CCCN1C(CNC([C@@H]2CCCN2C([C@@H](NC([C@@H]3CCCN3C([C@@H](NC([C@H]([C@H](O)C)N)=O)CCCCN)=O)=O)CCCNC(N)=N)=O)=O)=O)O.OC(C)=O T20515L
C\C=C\C=C\CCCCCCCO T20516
CC(C)CCNCCC(C)C T20517
OC(=O)[C@@H]1C[C@H](CN1C(=O)CP(O)(=O)CCCCc1ccccc1)C1CCCCC1 T20518
ClC(c1ccccc1)(c1ccccc1)c1ccccc1 T20519
COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC T2052
O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 T20521
[O-][Cl](=O)(=O)=O.CC(=O)OCC[N+](C)(C)C T20522
CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12 T20523
CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O T20524
CCCN(CCC)C(=O)SCc1ccccc1 T20526
Nc1nc2cc(ccc2[nH]1)C(=O)c1ccccc1 T20528
CCSC(=O)N(CC(C)C)CC(C)C T20529
Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1 T2053
CCSC(=O)N(CC)C1CCCCC1 T20530
OC(=O)\C=C/C(O)=O.Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 T20531
COc1cc(Cl)c(OC)cc1Cl T20532
CN(CCCC(=O)c1cccnc1)N=O T20533
COC(=S)NCCn1c(C)ncc1[N+]([O-])=O T20535
C12=N[Se]N=C1C=CC=C2 T20536
C1c2cccc3ccc4cccc1c4c23 T20538
CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1 T20539
CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O T20540
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl T20542
FC(F)(F)c1cccc(c1)N1CC(CCl)C(Cl)C1=O T20543
Cl.Cl.Cc1ccc(cc1\N=N\c1cc(C)c(N)cc1N)\N=N\c1cc(C)c(N)cc1N T20544
CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 T20545
CC(=O)c1cc(C)oc1C T20546
C[S+](C)C.OC(=O)CNCP(O)([O-])=O T20547
O=C1NC(=O)C(=O)N1 T20548
Cl.CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1 T20549
O=C1CC(=O)NC(=S)N1 T20550
ClN1C2C(N(Cl)C1=O)N(Cl)C(=O)N2Cl T20551
Cl.CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O T20552
OC[C@@H](O)COC(CCCCCCC/C=C\CCCCCCCC)=O T20553
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 T20554
NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T20555
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T20556
[Mn+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C[c-]1cccc1 T20558
Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl T20559
NCCCNc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 T2056
CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12 T20560
CC(C)[C@@H](C(O)=O)NC(N(C)CC1=CSC(C(C)C)=N1)=O T20562
CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O T20563
COC(=O)[C@]12CO[C@]34[C@@H]5C[C@H]1\C(CN5CC[C@]23c1ccccc1N4C)=C/C T20565
CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O T20566
CCC(=O)c1ccc(cc1)-c1ccccc1 T20567
O=C(C1CCCCC1)C2=CC=CC=C2 T20568
O=C(C1CCCCC1)C1CCCCC1 T20569
Cl.NCCCNc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 T2056L
CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 T2057
OC(=O)[C@@H]1CCCN[C@@H]1C(O)=O T20571
COC(=O)c1cncn1C(C)c1ccccc1 T20572
CCNC(=O)[C@@H](C)OC(=O)Nc1ccccc1 T20573
[Mg++].CC(O)C([O-])=O.CC(O)C([O-])=O T20574
OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO T20576
O=C(C1=CC=C(O)C(O)=C1)C2=C(O)C=C(O)C=C2O T20578
Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 T2058
NC(=NO)c1ccccn1 T20580
CCC(C1=CC=NC=C1)=O T20581
CC(=O)c1ccc-2c(Cc3ccccc-23)c1 T20582
[Fe++].c1cc[cH-]c1.CC(=O)[c-]1cccc1 T20583
CCCCCCCC(=O)c1ccccc1 T20584
CC(=O)c1c[nH]c2ccccc12 T20585
QIXQGVQLBPQVOR-UHFFFAOYSA-N T20586
CC(=O)c1ccc2ccccc2c1 T20587
COP(=O)(OC)O\C(=C/Cl)c1cc(Cl)c(Cl)cc1Cl T20588
CC[C@@](C)(N)C(O)=O T20589
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 T2059
Cl.CC(C)NC1CCn2c3c(cccc3[nH]c2=O)C1O T20590
Nc1ccn([C@@H]2CS(=O)[C@H](CO)O2)c(=O)n1 T20591
Clc1cccc(OC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(O)=O)c1 T20592
COC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 T20594
CCCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl T20595
CNC(=O)Oc1cc(C)c(C)c(C)c1 T20596
COC1OC(C(OC2OC(C(OC)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O T20597
CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O T20598
CCCCC(CC)COC(=O)c1ccc(cc1)N(C)C T20599
Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C)-c1ccc(s1)C#N T2060
O.O.O=[AlH]O[SiH](=O)O[SiH](=O)O[AlH]=O T20600
CC(=O)c1ccc(C)s1 T20602
C=CC(=O)c1ccccc1 T20607
O=C(c1ccccc1)c1cccnc1 T20608
C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C T20609
Cc1cccc(\C=N\Nc2cc(N3CCOCC3)n3nc(cc3n2)-c2ccncc2)c1 T2061
CCCCCCCCCC(=O)c1ccccc1 T20611
Clc1c2COC(=O)c2c(Cl)c(Cl)c1Cl T20612
[H][C@@]12CC(=O)C3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)C(O)CC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T20613
OC(=O)c1cc(ccc1O)\N=N\c1ccc(O)c(c1)C(O)=O T20615
CC(=O)C[C@H](c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O T20616
C\C=C1\CN2C3Cc4c([nH]c5ccc(O)cc45)C2CC1C3CO T20617
CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O T20618
Cc1cccc(C)c1N(C1CCOC1=O)C(=O)CCl T20619
Oc1ccc2sc3c(SCCNC3=O)c2c1 T2062
CCS[C@H](C)C[C@H]1CC(O)=C(\C(CC)=N\OC\C=C/Cl)C(=O)C1 T20620
CNC(=O)Oc1ccccc1C(C)C T20621
CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O T20622
COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1 T20623
ClC(C1=CC=C(C(Cl)(Cl)Cl)C=C1)(Cl)Cl T20624
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1 T20625
O=[S@](C1=NC2=CC(OC)=CC=C2N1)CC3=NC=C(C)C(OC)=C3C T20626
O.[Mg++].[O-]S([O-])(=O)=O T20627
[H][C@]12NC(=O)C(=O)N1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O T20628
CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 T20629
Oc1ccc(C=C(C#N)C#N)cc1O T2063
NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl T20630
CC(Oc1ccc(Cl)cc1C)C(O)=O T20632
CCNc1nc(Cl)nc(n1)N(CC)CC T20633
[H][C@]12CC[N+]3(C)CC=C(COC(=O)[C@](C)(O)[C@H](C)C\C(=C\C)C(=O)O1)[C@]23O T20635
[H][C@@]12C[C@]([H])(C[C@@](O)(O1)[C@@H]1CSC(=O)N1)OC(=O)\C=C(C)/CC\C=C/[C@@H](C)CC2 T20636
Cc1sc(c(C(=O)NCC=C)c1C)[Si](C)(C)C T20638
[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 T20639
Cc3cc(C)nc3C=C1c2ccccc2NC1=O T2064
CCCCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C T20640
OC(=O)CC[Ge](=O)O[Ge](=O)CCC(O)=O T20641
CCCCCCCCCCCC(=O)c1ccc2cc(ccc2c1)N(C)C T20642
O=C(C(N12)=C(COC(N)=O)CS[C@]2([H])[C@@](NC(CC3=CC=CS3)=O)(OC)C1=O)O T20643
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C T20644
[H][C@@]12Cc3cc(O)c(OC)cc3-c3c(O)c(OC)cc(CC[N+]1(C)C)c23 T20645
[H][C@@]12Cc3cc(O)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 T20647
CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 T20648
CCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C T20649
Brc1ccc(cc1)N1C(=N)S\C(=C/c2ccc(o2)-c2ccc3C(=O)NC(=O)c3c2)C1=O T2065
OCCN(CCO)CCO.CCCCCCCC\C=C/CCCCCCCC(O)=O T20650
FC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1C(=O)Oc1ccccc1 T20651
COc1ccc(cc1)P1(=S)SP(=S)(S1)c1ccc(OC)cc1 T20652
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC T20656
Br.NCc1cc(=O)[nH]o1 T20657
CC1N(CCc2ccccc12)c1nc(Nc2ccc(F)cc2)nc(C)c1C T20660
CO\N=C1\CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T20662
CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O T20663
O=c1ccc2cc3CCCN4CCCc(c34)c2o1 T20664
[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])[C@H](O)C[C@]3(C)[C@H](CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)C[C@H](O)C(C)C T20665
COc1ccc2cc(ccc2c1)C(C)C(O)=O T20667
[Pb++].Oc1ccccc1C([O-])=O.Oc1ccccc1C([O-])=O T20668
CC(C)N1C(=O)c2ccccc2NS1(=O)=O T20669
CC(C)(O)c1ccc2n(cnc2c1)-c1cccc(c1)-c1ccccc1C#N T2067
[OH-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)=O T20671
Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1 T20672
CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl T20673
CCOP(=O)(OCC)SCc1ccccc1 T20674
CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O T20675
COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1 T20676
OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl T20677
CC(=O)Oc1cccc(OC(C)=O)c1OC(C)=O T20678
CCCCCCC(C)OC(=S)Oc1cc(Cl)nnc1-c1ccccc1 T20679
CN1CCN(C(C(C2CCC3O2)C3C(O)=O)=O)CC1 T2068
[Na+].[Na+].CCCC(C)C1(CC)C(=O)[N-]C(=S)[N-]C1=O T20680
C[C@@]12[C@@H](O)CC[C@@]1([H])[C@]3([H])CCC4=C(C=CC(OC(N(CCCl)CCCl)=O)=C4)[C@@]3([H])CC2 T20681
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cnnc1 T20683
CC(=O)Oc1cc2Oc3cc(OC(C)=O)c(Cl)cc3C3(OC(=O)c4ccccc34)c2cc1Cl T20684
CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 T20685
CCOC(=O)C(N1NCC(N1)C(O)=O)c1ccccc1 T20687
OC(=O)CN1C[C@H](SC[C@H](NC(CCc2ccccc2)C(O)=O)C1=O)c1cccs1 T20689
CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl T2069
CC1(C)OC[C@@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O T20690
CC(CN1CCCCC1)Cc1ccc(cc1)C(C)(C)C T20691
Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 T20693
OS(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S(O)(=O)=O)N=C=S)N=C=S T20694
CO\N=C(\Cc1cccnc1)c1ccc(Cl)cc1Cl T20695
C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C T20696
Clc1ccc(\C=N\NC(=N)N\N=C\c2ccc(Cl)cc2)cc1 T20697
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T20698
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O)c4c(O)c3C(=O)c12)C(C)=O T20699
Cl.CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl T2069L
N[C@](CC1=CC=C(O)C=C1)(C)C(O)=O T20700
Cc1cc(Cl)ccc1OCC(O)=O T20701
COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC T20702
OC[C@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O T20703
CSCCC(O)C(O)=O T20705
C[C@@H]1O[C@@H]1P(O)(O)=O T20706
CN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 T20707
CC1(OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1)C=C T20708
Cl.C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1 T20709
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC T20710
Oc1cccc2nc3ccccc3nc12 T20711
C[C@@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](CC[C@@]5(C)[C@@H]4CC[C@]23CN1C)N(C)C T20712
FC(F)(F)c1ccncc1C(=O)NCC#N T20713
Cc1c(C[S@@](c([nH]2)nc3c2cccc3)=O)nccc1OCC(F)(F)F T20714
CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O T20715
CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(O)=O T20718
CC(C)(C)c1nn(-c2cc(OCC#C)c(Cl)cc2Cl)c(=O)o1 T20719
Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1 T2072
[H][C@@]12CCC(=[C]#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC(OC(=O)CCCCCC)C(=O)CC3CC[C@@]21[H] T20720
CS(=O)(=O)c1cc(ccc1C(=O)c1cnoc1C1CC1)C(F)(F)F T20721
COCC(=O)OC(C(C)F)c1ncccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1 T20722
Cc1c(cccc1-c1ccc(OC(F)(F)F)cc1)C(O)=O T20723
[Na+].[Na+].OC(=O)CN(CC([O-])=O)CC([O-])=O T20725
CC(=C)C(=O)Nc1ccc(Cl)c(Cl)c1 T20727
OC1=CC=C([C@@H]2OC3=C(OC)C=C(/C=C/C)C=C3[C@H]2C)C=C1OC T20728
CNC(=O)C(C)SCCSP(=O)(OC)OC T20729
Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O T2073
OC(=O)C1(CC1)C(=O)Nc1ccc(Cl)cc1Cl T20730
CC[N+]([O-])(CC)CC(=O)Nc1c(C)cccc1C T20732
Cc1cccc(C)c1NC(=O)CN(CC(O)=O)CC(O)=O T20733
[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T20734
Cl.Cl.Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O T20735
C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2 T20736
[H][C@]12CC(S[C@H]3CCN(C3)C(C)=N)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(O)=O T20737
[Cl-].C[N+](C)(C)CCCl T20738
Cl.O=c1n(cc2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 T20739
Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12 T2074
CC(Cc1ccc(cc1)C(C)(C)C)C=O T20741
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCC5)ccc34)[C@@H]1C[C@@H](O)[C@@]2(O)C#C T20744
COc1ccc2[nH]cc(C3CCNCC3)c2c1 T20746
[H][C@@]12CC[C@@](O)(\C=C/CO)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C T20747
CC1OC(C)(C)c2cccc(NC(=O)c3c(C)nn(C)c3Cl)c12 T20748
CC(C)=CCC\C(C)=C1\CCC(C)=CC1 T20749
C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 T2075
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1C[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1 T20750
NC(=O)OC[C@@H]1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O T20751
[H][C@@]12CC[C@](C)(C(=O)C(C)O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] T20755
[NH4+].[NH4+].[S-]C(=S)NCCNC([S-])=S T20756
CCCCOC(=O)COc1ccc(Cl)cc1Cl T20757
[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCc3ccccc3)C(O)=O)[C@@]1([H])CCCC2)C(O)=O T20758
Cc1cc(C(=O)N2CCN(CC2)c2cccc(Cl)c2)n(n1)-c1ccccc1 T20759
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 T2076
CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F T20761
C\C=C(\C(=C\C)\c1ccc(OC(C)=O)cc1)/c1ccc(OC(C)=O)cc1 T20764
CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1 T20766
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O T20767
COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1 T20769
OC(=O)c1ccc2cccc(O)c2n1 T20770
CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C T20772
OC(=O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O T20774
CN\C(=C/[N+]([O-])=O)[NH+]([O-])CCSCc1ccc(CN(C)C)o1 T20775
[Li+].CCCCCCCCCCCCCCCCCC([O-])=O T20776
CCCN(CCC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O T20777
[H][C@@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@H]1C\C(O2)=C\CCCC(O)=O T20778
CCCC[Sn]1(CCCC)OC(=O)C=CC(=O)O1 T20780
O=c1ccc(=O)[nH][nH]1 T20781
OCCN1CN(CCO)CN(CCO)C1 T20782
FC(F)(F)c1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nc1 T20783
COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl T20784
CC1=C(CC=C)C(=O)CC1OC(=O)C1C(C)(C)C1(C)C T20785
[Co++].c1cc[cH-]c1.c1cc[cH-]c1 T20786
CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C T20787
CC\C=C(/C)C(OC(=O)C1C(C=C(C)C)C1(C)C)C#C T20788
C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F T20789
CC(C)OC(=O)NC(C(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 T20790
Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O T20791
Cl.NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 T20792
CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)C=CC(=O)O1 T20794
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(C(C)=O)=C3C T20795
COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC T20796
Cl.CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 T20797
Fc1ccc(cc1)C1C(=O)c2ccccc2C1=O T20798
O=C(O)C1=CC=C(Cl)C=C1NC2=CC=CC=C2C(O)=O T20799
[Na+].[Na+].[O-]C(=O)c1ccccc1Nc1cc(Cl)ccc1C([O-])=O T20800
COc1ccc2[nH]c3[C@@H]4C[C@H]5[C@@H](CO)[C@H](Cc3c2c1)N4C\C5=C\C T20801
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C T20802
CC(C)(C)[C@H](O)C(=C/c1ccc(Cl)cc1)\n1cncn1 T20803
COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1 T20804
[H][C@@]12[C@@H](C[C@@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22CCCC(C)(C)[C@@]2([H])[C@@H]1O)OC(C)=O T20805
CCOP(=S)(OCC)Oc1ccc(=O)n(n1)-c1ccccc1 T20806
CCCC\C=C/CCCCCCOC(C)=O T20807
NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(N)=N)c1 T20808
CC(C)(C)C(Br)C(=O)NC(C)(C)c1ccccc1 T20809
Fc1cc2OCC(=O)N(CC#C)c2cc1N1C(=O)C2=C(CCCC2)C1=O T20810
CC12CC1(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1 T20811
COP(=O)(OC)SCn1c2ncc(Cl)cc2oc1=O T20812
CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C T20813
CCOC(=O)N1CCC(CC1)C1(F)c2ccc(Cl)cc2CCc2cccnc12 T20814
CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2c(Cl)ccnc12 T20815
CCOC(=O)N1CCC(=CC1)C1c2ccc(Cl)cc2CCc2cccnc12 T20816
COCCc1ccc(OCC(O)CNC(C)C)cc1 T20817
CCNP(=S)(OC)O\C(C)=C\C(=O)OC(C)C T20818
N.[Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O T20819
CC(C)c1[nH]nc(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1 T2082
CC1=NOC(=O)\C1=N/Nc1ccccc1Cl T20820
OCCN1CCN(CCCS(O)(=O)=O)CC1 T20821
[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 T20823
CCN(CC)C(=O)N1CCN(C)CC1 T20825
COP1(=S)OCc2ccccc2O1 T20826
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCC T20827
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 T20828
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(N)c1ccccc1)C(=O)OCOC(=O)C(C)(C)C T20829
COc1ccc(NC(=O)N(C)C)cc1Cl T20830
CCOc1cc(OP(=S)(OC)OC)nc(CC)n1 T20831
COCC(C)N(C(=O)CCl)c1c(C)csc1C T20832
C\C(=N/NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(O)=O T20833
CCSc1nc(NC(C)C)nc(NC(C)C)n1 T20834
C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1 T20835
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O T20839
CC(C)(C#N)c1ccc(cc1)N1C(=O)OCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1 T2084
FC(C(F)(F)F)C(F)(F)F T20840
OC(=O)CN(CC(O)=O)CC(O)=O T20841
OC(=O)CN(CC(O)=O)C1CCCCC1N(CC(O)=O)CC(O)=O T20842
CN(CCOP(O)(O)=O)C(N)=N T20843
Nc1ccnc(N)[n+]1[O-] T20845
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC T20846
CCN(CC)C(=O)SCc1ccc(Cl)cc1 T20847
OCCOCCOCCOCCC(O)=O T20849
COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12 T2085
CCCSS\C(CCO)=C(/C)N(Cc1cnc(C)nc1N)C=O T20851
[H][C@@]12C[C@@H](OC(C)=O)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC[C](=O)=C[C@]12C T20852
OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl T20853
OCCS(O)(=O)=O T20854
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(=O)OC T20855
COc1c(Cl)ccc(Cl)c1C(O)=O T20856
C[N+](CC[N+](C)(C)CC[*])(CCO[*])C.[ClH-].[ClH-] T20857
Nc1cccc(c1)S(O)(=O)=O T20858
OC(=O)c1cc(O)nc(O)c1 T20863
Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cc1 T20866
OC(=O)c1cccc(c1)C(O)=O T20868
Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F T20869
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I T2087
CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1 T20871
Oc1nc(O)nc(O)n1 T20872
COc1cc2C[C@H](C)[C@H](C)[C@@H](OC(=O)C(\C)=C/C)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC T20876
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O T2088
CC(=CC(=O)O)C(=O)O T20880
OC(=O)c1ccccc1I T20881
OC(=O)c1ccc(cc1)[N+]([O-])=O T20882
OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 T20884
CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC T20885
CNCC[C@@H](Oc1ccccc1C)c1ccccc1 T20886
CCNc1nc(NC(C)C)nc(OC)n1 T20888
Nc1ccc2c(n1)[nH]c1ccccc21 T20889
Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1 T2089
[Na+].COc1ccccc1\N=N\c1cc(c2ccccc2c1O)S([O-])(=O)=O T20892
CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl T20894
COS([O-])(=O)=O.Cn1c(cc(-c2ccccc2)[n+]1C)-c1ccccc1 T20896
Cl.CC(C)NC[C@@H](O)COc1cccc2ccccc12 T20898
COCCC(O)=O T20899
CCC[C@H](Nc1nc(ncc1C)-c1ccc(NC(=O)NCC)c(OC)c1)c1cccnc1 T2090
FC1(F)Oc2cccc(c2O1)-c1c[nH]cc1C#N T20905
CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O T20906
c1ccc2c3c(ccc2c1)[nH]c1ccc2ccccc2c31 T20907
CC(O)=O.CC(O)=O.C(CNCc1ccccc1)NCc1ccccc1 T20908
COC(=O)CCCC(=O)OC T20909
CN(CC1=CC=CC=C1)CC2=CC=CC=C2 T20910
CN(CC1=CC=CC=C1)CC2=CC=CC=C2 T20911
Cl.Cl.Clc1ccc(nn1)N1CC2CCC(C1)N2 T20912
CC(C)(C)OC(CCOCCOCCN=[N+]=[N-])=O T20915
Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1 T20916
COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC T20917
[Na+].COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C([O-])=O)n1 T20918
NC(=S)c1c(Cl)cccc1Cl T20919
Cl.Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2 T2092
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@](O)(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 T20920
O=C(O)CN1C([C@@H](N[C@@H](CCC2=CC=CC=C2)C(OCC)=O)CCC3=CC=CC=C31)=O T20921
Cc1cc(O)c(Cl)c(C)c1Cl T20925
Nc1c(Cl)cc(cc1Cl)[N+]([O-])=O T20926
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O T20927
CCCCOCC(O)COc1ccccc1 T20928
[H][C@]12C[C@]1(CNC2)c1ccc(Cl)c(Cl)c1 T2092L
CN(CCO)C(=O)c1cc(N[C@@H]2CCOc3cccc(C)c23)c2nc(C)cn2c1 T2093
CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 T20930
CC(C)CCC=O T20931
OP(O)(O)=O.Cc1ccc(Oc2ccccc2)c(c1)-c1ccccc1 T20932
OC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 T20933
CCCCCCCCCCCCc1ccccc1S(O)(=O)=O T20934
ClC(Cl)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 T20935
CCCCCCCCCCCC[N+](C)(C)[O-] T20936
CCCCCCCCCC\C=C\C1CC(=O)OC1=O T20937
Clc1ccc(cc1)C(c1ccccc1Cl)C(Cl)(Cl)Cl T20938
O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T20939
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC T2094
COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl T20940
CCOc1nc(F)cc2nc(nn12)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC T20941
O=C1Cc2ccccc2Nc2ccccc12 T20942
OC(=O)COc1ccc(Cl)cc1Cl T20945
O=[Bi]O[Bi]=O T20946
CCSC(=O)COc1ccc(Cl)cc1C T20948
CO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O T20949
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 T2095
OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CCC(CC1)Oc1cc(F)ccc1Br T20950
OC(C1CN2CCC1CC2)(c1ccccc1)c1ccccc1 T20951
OC(C(O)C(O)=O)C(O)=O.CC1C(OCCN1C)c1ccccc1 T20952
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C T20953
Cl.CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F T20955
CCOC(=O)N1CSC[C@H]1C(O)=O T20956
CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C T20958
COC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1 T20960
[Na+].CCCC(C)C1(CC=C)C(=O)NC(=O)[N-]C1=O T20961
NC[C@@H](CC(O)=O)c1ccc(Cl)cc1 T20962
Cc1nnc(nn1)-c1ccc(CN)cc1 T20967
Cc1cc(C)n(n1)-c1nc(C)cc(NC2CCCCC2)n1 T20968
Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1 T2097
CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C T20971
Clc1ccc2c(c1)s[nH]c2=O T20972
OCCOCCOCCS T20973
[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)CC[C@]12C T20976
CC(=O)SCCOCCOCCOCCOCCOCCO T20978
Cc1cccc(n1)-c1[nH]ncc1-c1ccnc2ccccc12 T2098
COC1=CC(=O)\C(=C(\O)/C=C/c2ccccc2)C1=O T20980
COC(OC)(C(=O)c1ccccc1)c1ccccc1 T20981
[Na+].[O-][N+](=O)c1cccc(c1)S([O-])(=O)=O T20982
Oc1ccc(\N=N\c2c(O)c(ccc2Cl)S(O)(=O)=O)c(O)c1 T20984
O=c1c2cccc3cccc(c4nc5cccc6cccc(c56)n14)c23 T20985
O=c1c2cccc3cccc(c4nc5ccccc5n14)c23 T20986
COc1ccccc1NC(=O)C(\N=N\c1ccc(cc1OC)[N+]([O-])=O)C(C)=O T20987
COC(C)COC(C)=O T20988
C(CC(OC[C@@H](CO)O)=O)CCCCC\C=C/CCCCCCCC T20989
CCCCCCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO T20992
C[C@@]12CC3C[C@@](C)(C1)CC(N)(C3)C2 T20993
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1Cl)C(=O)OC T20994
CCOC(=O)c1c(COCCN)nc(C)c(C(=O)OC)c1-c1ccccc1Cl T20995
CCOC(=O)C1=C(C)NC(COCCN)=C(C1c1ccccc1Cl)C(=O)OCC T20996
Clc1cccc(N2CCNCC2)c1Cl T20999
CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 T21000
CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)=C1O T21005
O=C(C(N12)=C(CO)CS[C@]2([H])[C@H](N)C1=O)O T21006
CCCCCOc1ccc(cc1)-c1ccc(cc1)C#N T21007
COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1O T21008
CCCCCC\C=C\C=C\CCCCCCCC(O)=O T21009
CC(C)NCC(O)COc1ccc(NC(C)=O)cc1C(C)=O T21010
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 T21011
Fc1ccc(NC(=O)c2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1 T21012
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 T21013
Cl.COc1ccc(CN(CCN(C)C)c2ncccn2)cc1 T21014
CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@H]5C[C@@H]5[C@@]4(C)[C@H]3CC[C@@]12C T21016
NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T21017
Br.CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@@](O)(CO)c1ccccc1 T21018
OCCOCCO T21019
CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1 T2102
OP(O)(O)=O.C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 T21020
CC(C)NCC(O)COc1ccc(N)cc1C(C)=O T21021
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCNCC2)O1 T21022
NCCC[C@H](N)C(O)=O.OC(=O)CCC(=O)C(O)=O T21024
Cl.CNCC[C@H](Oc1ccccc1C)c1ccccc1 T21028
Cl.NCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 T21029
[H][C@@]12CC(=C)CC[C@@]1(CC[C@@]1(C)C2=CCC2[C@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C)C(O)=O T21030
CC(C)[C@@H]1CC\C(C)=C/CCC(=C)\C=C/1 T21032
[H][C@]12C[C@@]3([C@@H](OC(C)=O)C(=O)[C@]4([H])C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]4(C)[C@]3([H])[C@H](C1)OC(C)=O)C(=O)C2=C T21033
CN1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(C(O)=O)c2=O T21035
Cc1nccn1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 T2104
C=CCCCCCCCC T21040
c\12c(cn[nH]c1=N/N)cccc2 T21041
COC(=O)C[C@@H](O)C[C@@H](O)\C=C\c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C T21042
CCOc1cc(ccc1OC)C(CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O T21043
Cc1ccc(cc1)N1C(=O)C=CC1=O T21044
CC(C)(O)CCCC1=CCC(CC1)C=O T21045
NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O T21046
CC[C@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)OC)c1ccccc41 T21047
C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=O T21048
C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O T21049
Cl.Cl.C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O T2105
OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 T21050
CC1=NCCN1 T21052
NCCCC[C@H](N)C(O)=O.N[C@@H](CCC(O)=O)C(O)=O T21053
Cl.NCCCC[C@@H](N)C(O)=O T21054
N[C@@H](CC(O)=O)C(O)=O.NCCCC[C@H](N)C(O)=O T21055
NCCCC[C@H](N)C(O)=O.CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 T21056
CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C T21057
CCCCCCCCCCOc1ccc(N)cc1 T21058
CCCSc1nc(N)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 T21059
C=CCC\C=C/CCC=C T21061
Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 T21062
CO[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@]24OO3 T21064
C[C@@H]1CC[C@@H]2C(=C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 T21065
C[C@H]([C@@H](O)C(O)=O)C(O)=O.NCC(O)c1ccc(O)c(O)c1 T21066
c12c(c3c4c1cccc4ccc3)c1c(c3c4c5c(cccc5ccc4)c23)c2c3c1cccc3ccc2 T21067
Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl T21068
O=C(C1=CC=C(F)C=C1)CCCN2CC[C@@](N3CCN(C)C4=C3C5=CC=C4)([H])[C@@]5([H])C2 T21069
NC1=NC=NC2=C1C(=CN2C1CC(CN2CCCC2)C1)C1=CC(OCC2=CC=CC=C2)=CC=C1 T2107
[O]#C[Mn](C#[O])(C#[O])(C#[O])(C#[O])[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O] T21070
Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F T21071
COc1cc(N)ccc1O T21072
O.[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T21074
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F T21075
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C T21076
C[C@H](CN1CCCCC1)C(=O)c1ccc(C)cc1 T21077
Fc1c(F)c(F)c(c(F)c1F)-c1c(F)c(F)c(F)c(F)c1F T21078
Fc1c(F)c(F)c(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F T21079
[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O T21081
Oc1ccc(O)c(c1)-c1ccccc1 T21082
O=C1C=CC(=O)C(=C1)c1ccccc1 T21083
[Na+].[Na+].OC1=C(O)C(=O)C([O-])=C([O-])C1=O T21086
C1CCC(CC1)N(Sc1nc2ccccc2s1)C1CCCCC1 T21087
CN(C)c1cccc(C)c1 T21088
[O-][N+](=O)c1cccc(SSc2cccc(c2)[N+]([O-])=O)c1 T21089
Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1 T2109
Cc1cccc(c1)-c1cccc(C)c1 T21090
ClCc1cccc(Cl)c1 T21091
Nc1ccc(cc1O)-c1ccc(N)c(O)c1 T21092
O.[O--].[O--].[O--].[O--].[O--].[O--].[Na+].[Na+].[Al+3].[Al+3].[Si+4] T21093
CN1[C@H]2CCC[C@@H]1CC(=O)C2 T21094
NCc1ccc(O)cc1 T21095
OCCCCCCCCCCO T21096
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C T21097
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 T21098
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1 T2110
N#CCCCCCCCCCCC#N T21100
C(CCCCC)CCCCO T21101
N[C@H](C(O)=O)c1ccc(F)cc1 T21102
[H][C@@]12C[C@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T21103
CCCCCC[C@H](O)CCC T21104
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2[C@H]1C(=O)O T21105
CC(O)c1cccc(N)c1 T21106
CC(C#N)c1cccc(c1)C(O)=O T21107
OC(=O)COc1ncc(Cl)c(Cl)c1Cl T21108
Cl.CN1CCC[C@@H](CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O T21109
[Br-].COCCn1c(C)[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O T2111
CN(C(=O)COc1nc2ccccc2s1)c1ccccc1 T21110
CCCCCCCCCC(=O)N(C)C T21111
Cl.Cc1ccc(cc1)C(=C\CN1CCCC1)\c1ccccn1 T21112
CC(=O)Nc1nc2n(COCCO)cnc2c(=O)[nH]1 T21113
Cl.Cc1ccc(N)c(C)c1 T21114
C1[C@@H](NCS1)C(=O)O T21115
CCCCCCCCCCF T21116
CC(=O)Nc1cccc(C)c1 T21117
CC(=O)Oc1cccc(c1)C(C)=O T21118
C[C@H]1O[C@]2(CS1)CN1CCC2CC1 T21119
CSc1ccc(OCc2ncc(n2C)[N+]([O-])=O)cc1 T2112
CCCCCCCCCCSCCCCCCCCCC T21122
C(CCCCC)CCCCCl T21123
CCCCCCCCCCC1CCCCC1 T21124
CCCCCCCCCCI T21125
CCCCCCCCCCOCCCCCCCCCC T21126
[Na+].[Na+].Oc1cc(cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O T21127
Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2[nH]1 T21128
CNC(=O)c1ccccc1S(=O)c1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 T21129
CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C T2113
COc1cc2OC(C)(C)C=Cc2cc1OC T21130
Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1OP(O)(O)=O T21131
C\C=C/[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C T21132
BrCCCCCCCCCCBr T21133
ICCCCCCCCCCI T21134
CCCCCCCCCCN=C=S T21135
Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(n1)C(F)F T21136
N#Cc1cccc(c1)C#N T21137
N#CCc1cccc(CC#N)c1 T21138
OC(=O)Cc1cccc(CC(O)=O)c1 T21139
CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCCC2)c(Cl)cc1Cl T2114
CCCCCCCC[C@@H](O)CO T21141
CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C T21142
SCCCCCCCCCCS T21143
[O-][N+](=O)c1cc(Cl)cc(Cl)c1 T21144
Ic1cccc(I)c1 T21145
CC(=C)c1cccc(c1)C(C)=C T21146
N#CCCCCCCCCC#N T21149
FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 T2115
O=C1OCCCO1 T21150
C[C@H](O)C(O)=O.O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 T21151
O=C(N)[C@H](CC1=CC=CC=C1)NC(C)=O T21152
C\N=C(\NCc1cnc(Cl)s1)N[N+]([O-])=O T21153
CC(C)NC[C@@H](O)COc1ccc(CC(O)=O)cc1 T21155
[H][C@@]12CCN(C[C@@H]1CC)[C@H](C2)[C@@H](O)c1ccnc2ccccc12 T21156
COC(=O)CCCCCCCCC(=O)OC T21157
CCOC(=O)CCCCCCCCC(=O)OCC T21158
CCCC[C@@H](CC)COC(=O)CCCCCCCCC(=O)OC[C@H](CC)CCCC T21159
CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 T2116
O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1 T21160
[H][C@@]12Oc3nc(=N)ccn3[C@]1([H])O[C@H](CO)[C@H]2O T21161
CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C T21162
[Na+].Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O)-c1ccccc1Cl T21163
Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F T21164
CCCCC\C=C\C=C\C(=O)NCC(C)C T21165
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC T21166
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)=O T21167
O(c1ccccc1)c1cccc(Oc2ccccc2)c1 T21168
CCc1cccc(N)c1 T21169
C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O T2117
CCc1cccc(O)c1 T21170
CCOc1cccc(C=O)c1 T21171
CCOc1cccc(c1)C(N)=O T21172
CCc1cccc(C=O)c1 T21173
[O-][N+](=O)c1cccc(F)c1 T21175
Fc1cccc(c1)N=C=S T21177
NC(=O)c1cccc(F)c1 T21178
Fc1cccc(CCl)c1 T21179
NC(=O)c1sc(cc1N)-c1ccsc1 T2118
Fc1cccc(C=O)c1 T21180
N[C@@H](Cc1cccc(F)c1)C(O)=O T21181
OC(=O)\C=C\c1cccc(F)c1 T21182
Fc1cccc(I)c1 T21183
CCCCCCCCCC#N T21184
OC(=O)CCc1ccc[nH]1 T21185
Fc1cccc(c1)C(Cl)=O T21186
Fc1cccc(S)c1 T21187
O=Cc1cccc(c1)C#N T21188
CCCCCCCCC(C)C#N T21189
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O T21190
CCCCCCCCCCP(O)(O)=O T21191
C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(C)=O)C(=O)COC(C)=O T21192
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C T21193
NC(=O)c1nc[nH]c1N.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T21194
NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N T21195
CCCCCCCCCC(=O)OC(C)C T21196
Oc1cccc(Nc2ccccc2)c1 T21197
NNc1cccc(c1)S(O)(=O)=O T21198
Oc1cccc(c1)-c1ccccc1 T21199
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C T2120
Oc1cccc(I)c1 T21200
NC(=O)Nc1cccc(O)c1 T21201
NNC(=O)c1cccc(O)c1 T21202
CCOC(=O)Nc1cccc(O)c1 T21203
[Na+].Oc1cccc(c1)C([O-])=O T21204
CC(C)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C T21205
[BrH-].c1ccc(cc1)-c1nn(-c2ccccc2)[n+](n1)-c1ccccc1 T21206
OC(=O)CNCCNCC(O)=O T21207
Nc1nc(=O)n(cc1I)C1CC(O)C(CO)O1 T21208
CCCN(CC1CC1)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O T21209
CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1 T2121
Ic1cccc(c1)N=C=S T21210
NC(=O)c1cccc(I)c1 T21211
Ic1cccc(c1)-c1ccccc1 T21212
NC(=O)NCc1ccccc1 T21213
OCc1cccc(I)c1 T21214
N(C(N)=N)C.Cl T21215
CNC(=O)Oc1cccc(C)c1 T21216
Cc1cccc(OCC(O)=O)c1 T21217
COc1cccc(Br)c1 T21218
O\N=C1/C(=O)Nc2ccccc12 T21219
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O T2122
Clc1cccc(Nc2ccccc2)c1 T21220
C1(OC(CC(O1)=O)=O)(C)C T21221
O=C(OCCN(CC)CC)C1=CC=C(OCCC)C(N)=C1 T21222
CCCCCCCCCC(=O)OCC(C)C T21223
O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T21224
CCCS(=O)(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1 T21226
CCC\C(=N/OCC)C1=C(O)C[C@H](C[C@H](C)SCC)CC1=O T21228
OC(=O)c1cc(O)c2c3nc4ccccc4oc3cc(=O)c2n1 T21229
C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 T2123
CCCCCCCCCC(=O)OCCCC T21230
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 T21231
CCCCCCCCCCOC(=O)CCCCCCCCC T21232
OC(=O)CCCCC(S)CCS T21233
OC(=O)CCCC[C@@H](S)CCS T21234
Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C T21235
COC(=O)CCCCCCCCC(O)=O T21236
CCCCCCCCCC(=O)OCCCCC T21237
[Zn++].[S-]c1nc2ccccc2[nH]1.[S-]c1nc2ccccc2[nH]1 T21238
CCCCCCCCCC(=O)OCCC T21239
Cl.CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 T2124
[Na+].CCCCCCCCCC([O-])=O T21240
CCCCCCCCCC(=O)OC(=O)CCCCCCCCC T21241
CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Al](O)OC(=O)C(C)(C)Oc1ccc(Cl)cc1 T21243
OP(O)(O)=O.CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 T21244
NC(=O)c1nc(=O)[nH]c(=O)[nH]1 T21245
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1 T21246
CN(C)CCO[C@H](c1ccc(Cl)cc1)c1ccccn1 T21247
O=C([C@@H]([C@@H](O)C)N)O T21248
COc1ccc(C=O)c(O)c1O T21252
[H][C@]12C[C@@]3([H])[C@]4([H])CC(=O)[C@@]5(O)C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 T21253
OC(=O)\C=C\C(O)=O.CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccnc1 T21254
[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C T21255
CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T21256
O=C(O)[C@@H](N)CC1=CC=C(C(C2=CC=CC=C2)=O)C=C1 T21257
NCc1ccc(cc1)S(N)(=O)=O T21258
Cl.NC[C@@H](O)CCl T21259
OC(Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F T2126
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O T21260
[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c2ccc2OC(C)(C)C=Cc12 T21261
[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c2ccc(O)c1CC=C(C)C T21262
CCOC(=O)C1=C(COCCN)NC(C)=C([C@H]1c1ccccc1Cl)C(=O)OC T21265
On1nnc2ccccc2c1=O T21267
[Na+].[O-]S(=O)(=O)C1CC(=O)N(OC(=O)CCCCCN2C(=O)C=CC2=O)C1=O T21269
COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C T2127
Cc1nc(cn1CCO)[N+]([O-])=O T21270
Cc1onc(O)c1C[C@H](N)C(O)=O T21271
NC(=O)c1cccc(c1)C(N)=O T21272
OB(O)c1cccc(c1)C(O)=O T21273
COc1cc2nccc(N)c2cc1OC T21274
CO\C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 T21275
CN(C)S(=O)(=O)n1cnc(n1)S(=O)(=O)n1c(C)c(Br)c2ccc(F)cc12 T21276
OC(=O)Cc1ccc(O)c(Cl)c1 T21277
COc1cccc(C)c1 T21278
Cc1cc(O)c(cc1C(C)(C)C)C(C)(C)C T21279
CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br T2128
c12c(c(c3ccccc3n1)[NH2+])cccc2.[ClH-] T21280
Nc1nnc(s1)S(N)(=O)=O T21281
Cc1cc(O)ccc1[N+]([O-])=O T21283
Cc1cc(O)ccc1N T21284
Nc1ccc-2c(Cc3ccccc-23)c1 T21285
Cc1c(Br)cc(Br)c(O)c1Br T21286
Cc1cccc(O)c1[N+]([O-])=O T21287
Cc1cc(O)c(cc1Cl)[N+]([O-])=O T21288
CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C T21289
CCCOc1ccccc1-c1nc(=O)c2[nH]nnc2[nH]1 T2129
CC1CCOC(C)O1 T21290
CC1CCOCO1 T21291
OCC1(CO)COC(OC1)c1ccccc1 T21292
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF T21293
CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1)S(N)(=O)=O T21294
CN(C)Cc1cccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)N(C)C)c2ccccc2)c1 T21295
Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 T21298
O.OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O T21299
Cl.Cl.NCCNCCNCCN T21300
[Na+].[O-]C(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 T21301
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1 T21302
CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O T21305
CCOC(=O)CNP(=O)(NCC(=O)OCC)N(CCCl)CCCl T21306
[Pt++].[O-]C(=O)CC([O-])=O.CC(C)C1OC(CN)C(CN)O1 T21307
Cl.CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC T2131
O=C(NCC1=CN=C(C)N=C1N)N(CCCl)N=O.[H]Cl T21310
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1 T21312
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12 T21313
C[Si](C)(C)c1cc(cc(c1)[Si](C)(C)C)C(=O)Nc1ccc(cc1)C(O)=O T21314
Nc1nc(=O)c2N3CN(CC3CNc2[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T21315
Cn1c(\C=C\CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O T21316
Nc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1nonc1NCCC#N T21317
Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(O)=O)cc2)c1 T21318
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N\OC(C)(C)C)c3Cn1c2=O T21319
Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 T2132
Cl.CON T21320
CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F T21321
COc1nn(C)cc1Nc1nc(nc2n(C)cnc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C T21322
N.Cl[Pt]Cl.Cc1ccccn1 T21323
ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 T21324
CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1ccc(=O)[nH]c1=O T21327
O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O[Na])O[Na])[C@@H](O)C2(F)F)c(=O)n1 T21329
n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O T2133
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1 T21330
C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N T21331
N\C(Sc1ccccc1N)=C(\C#N)/C(/C#N)=C(\N)Sc1ccccc1N T21332
CC(C)(S)C(=O)NC(CS)C(O)=O T21334
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](O)C1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C T21335
CS(O)(=O)=O.CS(O)(=O)=O.C[C@@H](Cc1ccccc1)N[C@@H](CCCCN)C(N)=O T21336
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12 T21337
[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C T21338
CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O T21339
c12c([C@H](C[C@@H](S1(=O)=O)C)NCC)cc(s2)S(=O)(=O)N.Cl T2134
CCCN1CC(CSC)CC2C1Cc1c[nH]c3cccc2c13 T21340
CC(C)C[C@H](N)C([C@]1(C)OC1)=O.O=C(O)C(F)(F)F T21342
[Na+].[O-]S(=O)(=O)CCCN1c2ccccc2Sc2ccccc12 T21343
Cl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O T21344
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 T21345
Cc1cc(C)c(C=O)[nH]1 T21347
CCOC(=O)c1[nH]c(C)c(CC)c1CC T21348
CCOC(=O)c1[nH]cc(C)c1C T21349
COc1ccc(CC(C)NCC(O)c2ccc(O)c(CO)c2)cc1 T21352
CC(C)(C)OC(=O)NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O T21353
F[P-](F)(F)(F)(F)F.CN(C)C(On1nnc2cccnc12)=[N+](C)C T21354
Clc1ccc2C(=O)CCCc2c1 T21355
OB(O)c1ccc(cc1)C(F)(F)F T21356
CC(C)(C)OC(=O)N1CCC[C@H](O)C1 T21357
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(CO)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O T2136
[H][C@@]12CN(C)C[C@@]1([H])c1cc(Cl)ccc1Oc1ccccc21 T21360
CC(CN(C)C)CC1=CC2=CC=CCC2Nc2ccccc12 T21364
CN(Cc1ccc(cc1)C(C)(C)C)Cc1cccc2ccccc12 T21365
C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 T21366
Nc1nc(=O)c2N[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 T21367
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 T21368
CC1(C)S[C@@H]2[C@H](N=CN3CCCCCC3)C(=O)N2[C@H]1C(O)=O T21369
CC(C)C(=O)c1c(nn2ccccc12)C(C)C T2137
Cl.Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 T21371
Cl.CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl T21372
Cl.CCN(CC)CCCN(C1Cc2ccccc2C1)c1ccccc1 T21373
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO T21374
NC(=O)OCC(O)COc1ccc(Cl)cc1 T21376
CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 T21377
Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 T21378
CN1CCN(CC1)C(c1ccccc1)c1ccccc1 T21379
Cl.CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)c1ccccc1 T2138
COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12 T21380
Cc1ccccc1N1CCN(CCc2nnc3CCCCn23)CC1 T21381
Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl T21384
CCOc1cc(N)c(cc1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O T21385
[Na+].CO\N=C(/C(=O)NC1C2SCC=C(N2C1=O)C([O-])=O)c1csc(N)n1 T21386
Cl.COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 T21387
COc(cc1)cc(CC2)c1C(c(cc1)ccc1OCCN1CCCC1)=C2c1ccccc1 T21387L
CCCN1C2=C(C(=O)NC1=O)NC=N2 T21389
CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)c1ccccc1 T2138L
CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 T2139
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1 T21391
O=C(C1=C(CN2C)N(C=N1)C3=CC=C(F)C=C3C2=O)OCC T21392
Cl.CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 T21393
CCOc1ncc(C)c2NC(C)=C([C@@H](c3ccc(cc3OC)C#N)c12)C(N)=O T21395
CN1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=CC=C3)CC1.[H]Cl T21396
CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl T21397
Cc1nnc(SCC(O)=O)[nH]1 T21398
CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 T21399
C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 T2140
OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 T21401
CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 T21405
[Na+].[Na+].CC(C)c1cccc(C(C)C)c1OCOP([O-])([O-])=O T21406
CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N.C(CC(=O)O)C(=O)O.O T21407
NC[C@@H](O)CC(O)=O T21409
Cl.CNC1(C)C2CCC(C2)C1(C)C T2141
CC(C)NCC(O)c1ccc(O)c(O)c1 T21411
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 T21411L
OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 T21412
[Na+].CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC([O-])=O T21414
NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F T21416
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]1(C)CCC\C2=C/C=C1\C[C@@H](O)CC[C@@H]1C T21417
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O T21418
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 T21419
Cl.COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 T2142
OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 T21420
ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1 T21421
[Br-].[H][C@]12Oc3c4c(C[C@]5([H])[C@](O)(CCC1=O)[C@]24CC[N+]5(C)CC1CC1)ccc3O T21422
OC(=O)\C=C/C(O)=O.[H][C@@]12Cc3cn(C)c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO)c34 T21423
OP(O)(O)=O.CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C T21424
CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2 T21425
CC(N)COc1c(C)cccc1C T21427
CN1CCN2C(C1)c1ccccc1Cc1ccccc21 T21428
OC(=O)C=CC(O)=O.CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 T21429
COc1c2ccoc2cc2oc(=O)ccc12 T2143
Cl.CN(C)C1C2C(O)C3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O T21430
CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12 T21432
CC(SC(=O)c1cccs1)C(=O)NCC(O)=O T21433
CC(=O)NS(=O)(=O)c1ccc(N)cc1 T21434
Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C T21435
Cl.CC(C)(N)Cc1ccccc1 T21436
CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1 T21438
Nc1c2CCCCc2nc2ccccc12 T21439
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C(O)=O T21440
[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)C[C@@]1(OC(C)=O)C2(C)C T21441
CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(=O)CC T21443
O=c1c(c1-c1ccccc1)-c1ccccc1 T21444
C(C1=NCCN1)c1cccc2ccccc12 T21445
Cl.CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 T21446
C(C1=NCCN1)c1ccccc1 T21447
Cc1ccc(Oc2ccccc2-c2csc(NC3=NCCCN3)n2)c(C)c1 T21448
CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 T21449
O=C(c1cn(CCCCC#N)c2ccccc12)c1cccc2ccccc12 T21450
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 T21451
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C T21452
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(O)=O T21453
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 T21454
CCNC(=O)OC1CCN(CC1)c1nncc2cc(OC)c(OC)cc12 T21457
[H][C@]12SCC(OC)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O T21461
CN(C)CC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12 T21462
Cn1nnc2c(ncn2c1=O)C(O)=O T21463
CNC(=O)Oc1cc(C)c(SC)c(C)c1 T21464
Cl.CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 T21465
Clc1cncc(n1)N1CCNCC1 T21466
Cc1cccc(C)c1NC(=O)CN1CCNCC1 T21468
NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl T21469
OC(=O)c1ccc(OCCn2ccnc2)cc1 T21471
C1(=C(Cc2c1cccc2)CCN(C)C)[C@@H](c1ncccc1)C.C(\C=C/C(=O)O)(=O)O T21472
CCOP(=O)(OCC)ON1C(=O)c2cccc3cccc(C1=O)c23 T21473
OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1ccc(=O)[nH]c1=O T21474
Cn1cc(NC(=O)c2cc(NC(=O)CNC(N)=N)cn2C)cc1C(=O)NCCC(N)=N T21475
Oc1cc(cc(Cl)c1-c1c(O)cc(cc1Cl)[N+]([O-])=O)[N+]([O-])=O T21476
N#CC1=CC([C@@H](N2C(CCC2)=O)[C@H](O)C(C)(C)O3)=C3C=C1 T21478
C(=O)([C@@](Cc1cc(c(cc1)O)O)(C)NN)O.O T2148
O=C(OCC)/C=C\C(OCC)=O T21480
CC(C)(C)C(O)C(=C/c1ccc(Cl)cc1)\n1cncn1 T21482
CCOC(c1cc(N)ccc1)=O.CS(O)(=O)=O T21483
Cl.Cl.CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N T21487
CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c1ccccc41 T2149
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1 T21499
Cl.NC(=N)NC(=O)Cc1c(Cl)cccc1Cl T2150
CCCCC/C=C\C/C=C\C/C=C\CCCCC(OC)=O T21504
ONC(CCCCCCC(NO)=O)=O T21505
CCOc1ccc2nc3ccc(=O)cc3oc2c1 T21507
Cl.CN(C)[C@H]1[C@@H]2Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(C(N)=O)=C1O T21508
COC(N)=O T2151
C[C@@H](C(NC([C@H](CCC(OC(C)(C)C)=O)NC([C@H]([C@@H](C)CC)N)=O)=O)=O)N(C(OCC1=CC=CC=C1)=O)[C@H](C=O)CC(C)C T21510
C[C@@H]([C@@H]([C@H](Cc1ccccc1)N1)[C@@]([C@H]([C@@H]2O)/C=C/C[C@H](C)C[C@](C)(/C=C3)O)([C@@H]3OC(C)=O)C1=O)C2=C T21513
OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(Cl)nc(NC3CCCC3)c2nc1 T21519
CCCCOC(=O)OCCCC T2152
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 T21523
Nc1ccc2C(=O)NC(=O)c3cccc1c23 T21524
NC(=N)N[C@@H](CCC(O)=O)C(O)=O T21526
Clc1ccc-2c(c1)C(=O)c1nc(C#N)c(nc-21)C#N T21527
CCC1(NC(=O)N(C)C1=O)c1ccccc1 T21529
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 T2153
CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1 T21532
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O T2154
C\C(=C/c1ccc(Cl)cc1)\C(\C)=N\O T21543
CC(C)n1c(-c(nc(Nc(cc2)ccc2C(N(CC2)C[C@H]2NC)=O)nc2)c2F)cnc1C T21544
N[C@@H](CCCNC(N(C)C)=N)C(O)=O.[H]Cl.[H]Cl T21546
O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1 T2155
Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 T21550
CCCCCCC(CC#C)C(O)=O T21551
C[C@H]([C@H](C1)O)O[C@H]1N(C=C(C)C(N1)=O)C1=O T21552
C[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 T2156
Cl.C1CN(CCN1)c1cccc2ccccc12 T21569
CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO T2157
Cc1ccc2ccc(C(Nc3ccccc3)c3ccccc3)c(O)c2n1 T21578
OCCNC=1N=C(NCC=2C=CC=CC2)C=3N=CN(C3N1)C T21588
[Na+].Nc1c(cc(c2cccc(O)c12)S([O-])(=O)=O)S(O)(=O)=O T2159
FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1 T21593
COc1ccc(Nc2nccc(NCCO)n2)cc1 T2161
COc1cc(C)c(C(=O)Oc2cc(C)c(C(O)=O)c(O)c2)c(O)c1 T21613
NC(=N)NCCS(O)(=O)=O T21615
CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N T21616
CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O T2162
CCc1nc2c(C)cc(C)nc2[nH]1 T21620
CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)NCCO T21623
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 T21629
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O T2163
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C(C)C)c3n2)cc1 T21632
OC(=O)CNC(=O)C(O)=O T21634
O=C(c(c(Nc(ccc(I)c1)c1Cl)c1F)cc(Br)c1F)NOCC1CC1 T21635
CN(C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 T2164
CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 T21640
CN(C)CCCNC1=C2C=CC=CC2=NC(/C=C/C3=CC=C(OC)C=C3)=N1.[H]Cl.[H]Cl T21648
O=S(C1=NC2=CC=CC=C2[N-]1)CC3=NC=CC(OCC(F)(F)F)=C3C.[Na+] T21651
Cl.Cl.CN1CCN(CC1)C(=O)CNC1CC1c1ccc(OCc2ccccc2)cc1 T21652
O=C(O)C1=CN=C2C=3N=CC=CC3C=CC2C1=O T21653
[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)([O-])=O T21654
O=C(NCCCCc1ccccc1)N(c(ccc(-c(cc1)ccc1F)c1)c1O1)C1=O T21658
[O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2C(=O)CSC2=O)cc1 T21659
Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 T2166
[Na+].[Na+].OC(CCC([O-])=O)C([O-])=O T21665
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl T21667
OC(=O)c1ccnc(c1)C(O)=O T2167
CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 T21673
N=1C=NC2=C(C1N)C(=NN2C(C)(C)C)CC=3C=CC=C(C3)C T21678
Oc1cc(O)cc(\C=C\c2ccc(Br)cc2)c1 T21679
Oc1ccccc1-c1ccc2cccnc2n1 T2168
Br.O=C(C=1C=CC(=CC1)C=2C=CC=CC2)CN3C=4C=CC=CC4N5C3=NCC5 T21685
[O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc12 T21687
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cccnc1=O T2169
O=C1C2=C(N(C)C(=O)N1CCCC[C@@H](C)O)N=CN2C T21694
Cl.CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O T21696
Cl.COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1 T2170
CC(O)=O.CC1CCN=C(N)C1 T21700
NC(Nc(cc1)ccc1Cl)=N.Cl T21703
Cc1cc(ccc1N)-c1nc2cc(F)ccc2s1 T21704
FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F T2171
Nc1nc(nc(N)c1N1CCOCC1)-c1nn(Cc2ccccc2F)c2ncccc12 T21712
CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 T21714
Nc1ccc(cc1NC(=O)N1CCCC1)-c1ccncc1 T21715
Nc1ncnc2n(cnc12)C1CCCO1 T2172
CC(CCCCN(C(c1c(N2C)ncn1C)=O)C2=O)OCC(CCCCN(C(c1c(N2C)ncn1C)=O)C2=O)O T21729
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O T2174
CNC(c(ccc(N(C1(CCC1)C(N1c(cc2)cc(C(F)(F)F)c2C#N)=O)C1=S)c1)c1F)=OCNC(c(ccc(N(C1(CCC1)C(N1c(cc2)cc(C(F)(F)F)c2C#N)=O)C1=S)c1)c1F)=O T21740
COc1ccc(CC(C)C(C)Cc2ccc(OC)c(OC)c2)cc1OC T21746
O=C(NC1=CC=C(C(Cl)=C1)N2C(=O)C=3C=CC=C(Cl)C3C2=O)C4=NC=CC=C4Cl T21747
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 T2175
Cl.Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl T21757
CC(=O)C(\C)=N\O T2176
O=P(O)(O)C(O)C=1C=CC=2C=CC=CC2C1 T21761
Fc1ccccc1COc1ccc2cc(CC3SC(=O)NC3=O)ccc2c1 T21764
COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cccc(C)c2)c1OC T21767
Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O T2177
COc1ccc2[nH]c3c(nccc3c2c1)-c1cccc2ccccc12 T21773
CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O T21781
COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 T21785
Br.Br.CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1 T21788
[H][C@@]12C[C@@H]3O[C@@]33[C@H](O)[C@]4(O[C@H]4[C@@H]4O[C@]34[C@@]1(C)CCC1=C2COC1=O)C(C)C T2179
CC1=C(NS(=O)(C2=CC=CC3=C2C=CC=C3N(C)C)=O)ON=C1C.Cl T21790
CCOC(OCC)P(O)(=O)CCCN T21793
C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1 T2180
Cl.CCOC(=O)c1cncn1[C@H](C)c1ccccc1 T21802
COc(ccc(-c1nc(cc(cc2)F)c2s1)c1)c1OCCOc(ccc(-c1nc(cc(cc2)F)c2s1)c1)c1OC T21804
ONC(=O)CCCCCCSc1ccc2ccccc2c1 T21806
O=C1C=CC(=O)C2=C1C3C=4C=CC=CC4C2C=5C=CC=CC53 T21807
CC1=CC(=O)\C(O1)=C\c1ccc(O)c(O)c1 T21808
Br.C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 T2181
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]ccc2c1 T21813
CCCCCc1ccc(\C=C\C(=O)Nc2cc(Cl)ccc2C(O)=O)cc1 T21815
C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](O)CC4)[H])[H])(C[C@@H](C#N)[C@@H]2C(C)=O)[H] T21818
O.O.O.Br.CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 T2182
NC(N)=NN=Cc(cccc1)c1Cl T21824
ClCC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)CCl)cc1 T21826
[Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 T2183
O=C(OC1=CC=CC=2C=CC=CC12)C=3C=C(C=C(C3)N(=O)=O)N(=O)=O T21838
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1 T2184
[Na+].Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 T2184L
[Na+].[Na+].[Na+].OCC(O)C1OC(=O)C(OP([O-])([O-])=O)=C1[O-] T2185
N#C/C(/C(NCCCCc1ccccc1)=O)=C\c(cc1)cc(O)c1O T21853
O=C(/C(CN(C)C/1)=C\C2=CC=C(B(O)O)C=C2)C1=C/C3=CC=C(B(O)O)C=C3 T21854
NC1SCC(=N1)c1ccc(Cc2ccccc2)cc1 T21859
FC(F)(F)COB(OCC(F)(F)F)OCC(F)(F)F T2186
CCCSc1nc2CCSc2c(=O)n1-c1ccccc1 T21865
Cc1nc2ccccc2n1S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O T21867
CC(C)C[C@@H](C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N(CCC1)[C@@H]1C(O)=O)=O)=O)=O)NC(Cc(cc1)ccc1NC(Nc1c(C)cccc1)=O)=O T21868
Nc1ccccc1S(N)(=O)=O T2187
O=C(C1=C(C=NNC(NC(C)(C)C)=S)N(C2=CC=C(F)C=C2F)N=C1)OC T21874
Nc1c(sc2nc3CCCc3cc12)C(=O)Nc1c(F)cc(F)cc1Br T21876
O=C1O[C@H](C2=COC=C2)[C@@]3(C)[C@]4([C@]5(C)[C@@H](CC3)[C@@](C)(C=C6)[C@@H](C(C)(C)C6=O)C[C@@H]5OC(C)=O)O[C@@H]41 T21883
COC(OC(c1c2ccc(N)c1)=O)=C2ClCOC(OC(c1c2ccc(N)c1)=O)=C2Cl T21890
Cc1c(nn(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 T21897
COCC(O)Cn1ccnc1[N+]([O-])=O T21899
CS(O)(=O)=O.CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 T2190
CN1CCN(C)C(C1)=Nc1ccc(cc1C(=O)Nc1ccccc1)[N+]([O-])=O T21900
CNc1oc(nc1C#N)-c1cccc2ccccc12 T21902
O.Cl.Nc1c2CCCCc2nc2ccccc12 T2191
[O-][N+](c(cccc1)c1-c1ccc(C=C(C(N(c2ccccc2)C(N2c3ccccc3)=S)=O)C2=O)o1)=O[O-][N+](c(cccc1)c1-c1ccc(C=C(C(N(c2ccccc2)C(N2c3ccccc3)=S)=O)C2=O)o1)=O T21919
c1[nH]nc2ccccc12 T2192
CCCCC(=O)Oc1ccccc1C(O)=O T21921
Clc1cnccn1 T2193
[H]Cl.[H]Cl.C(NCCNC(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 T21935
C(CNC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 T21935L
O=C(CCC1)C(CC(C(CCC2)=O)C2=O)C1=OO=C(CCC1)C(CC(C(CCC2)=O)C2=O)C1=O T21936
O=C1NC(=O)\C(S1)=C\c1ccc2OCOc2c1 T21938
C(N[C@H]1C[C@@H]2N(C)[C@H](C1)CC2)(=O)N3C=4C(N(C(C)C)C3=O)=CC=CC4.Cl T21946
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)OC T21954
COc1ccc(Br)cc1\C=C1/SC(=O)N(Cc2ccc(C)cc2)C1=O T21955
ClC1=C(C=NNC(N)=N)C(Cl)=CC=C1.[H]Cl T21957
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])C2CC[C@@]2([H])C[C@H](CC[C@]12C)OS(O)(=O)=O T2195L
Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F T2196
Clc1ccc2ncnc(NCc3ccc4OCOc4c3)c2c1 T21965
CN1C(=O)\C(=C2/Nc3ccccc3/C/2=N\O)c2ccc(Br)cc12 T21966
Cl.CCc1nccn1CC(=O)c1ccc(O)c(O)c1 T21969
OC(=O)c1ccccc1OCc1ccccc1Br T21970
CC1=CC=C(OS(=O)(O)=O)C=C1 T21977
Br.COC(=O)C1=CCCN(C)C1 T2198
O=C(NOCC1CC1)C2=CC(F)=C(F)C(F)=C2NC3=CC=C(I)C=C3C T21980
Cc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)n[nH]1 T21981
CCCCC(Cn1cncn1)(C#N)c1ccc(Cl)cc1 T2199
Oc1ccc2c(c1)occ(Oc1ccc(I)cc1)c2=O T21995
Cl.Cl.OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 T2200
COC(c1csc2c1nns2)=O T22003
O.S=c1[nH]cnc2nc[nH]c12 T2201
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br T22012
[H][C@@]12CN(C)C[C@]1([H])CN(C2)c1ccc(nn1)-c1ccccc1 T22016
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4.Cl.Cl.Cl T22019
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@H]2[C@@]1(CC[C@H](C2)O)C)C T2202
Oc1cccnc1NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O T22022
Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1 T22026
O=S(C1=CC=C(C)C=C1)(NC2C3=C(OC4=C2C=CC=C4)C=CC=C3)=O T22027
[Cl-].C[N+](C)(C)C[C@@H](O)CC(O)=O T2203
COc1ccc(Cc2cnc(N)nc2N)cc1OC T2204
FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2o1 T22043
Cn1c2ncn(CC(O)=O)c2c(=O)n(C)c1=O T2205
C1CN=C(N1)C2=NC3=CC=CC=C3C=C2.Cl T22051
C1CN=C(N1)C2=CC3=CC=CC=C3C=N2.Cl T22052
NC1=NN(CC1)c1cccc(c1)C(F)(F)F T22054
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O T2206
ClC1=CC=C(NC(C2CN(C(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=O)CCC2)=O)C=C1 T22062
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O T2207
C1=CC2=C(C=C1Cl)N=C(O2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl T22081
B(C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)(O)O T22086
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(O)c1)C(=O)CC(C2)c1ccccc1OC T22089
Cl.NCCc1c[nH]c2ccc(O)cc12 T2209
CCCCCCCOC(Cc1c(C)n(C(c(cc2)ccc2Cl)=O)c(cc2)c1cc2OC)=O T22092
COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC=C2CO T2210
Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 T22101
Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1 T22102
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 T22106
[O-][N+](c1cnc(NC(c(cc2)cc(Cl)c2[N+]([O-])=O)=O)s1)=O[O-][N+](c1cnc(NC(c(cc2)cc(Cl)c2[N+]([O-])=O)=O)s1)=O T22115
OC([C@H](Cc1c[nH]c2c1cccc2)NC(C(c1c2cccc1)=O)=CC2=O)=O T22118
OC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(c1)C(F)(F)F T22119
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC=C2CO T2212
CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 T22124
Cl.COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C T22126
COc1ccc(Cc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1 T22128
CCOC(=O)Cn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CC(=O)OCC)c3=O T22135
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)NC(=S)S3)Br T22136
FC(F)(F)c1cc(c2ccc3nc(cn3c2n1)-c1nnco1)C(F)(F)F T22142
O=C1C2=C(N(C)C(=O)N1CCCC[C@H](C)O)N=CN2C T22148
COc1cc(\C=C\C(O)=O)ccc1O T2215
CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N T2216
Nc1nc2[nH]nnc2c(=O)[nH]1 T2218
CCc1sc(N)nc1-c1ccc(OC)cc1 T22195
c1c(c(cc2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3c12)C)O)O)OC T2220
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O T2221
Cl.Cl.NCCCCN T22213
CN1C(=O)NC(=O)C1(C)C T22214
O=P([O-])([O-])OC1=C2C=CC=CC2=CC=C1.[K+].[K+] T22215
OCCCCCCCCCC=C T22216
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1 T22218
OC(=O)\C=C/C(O)=O.CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1 T2222
COC(c1ncccc1)=O T22220
CCCCCCCCCC(C)O T22221
O=C(/C=C/c1cnccc1)c1ccncc1 T22223
Cc1ccc(C(O)=O)c(O)c1 T22225
Oc1ccc2ccc(=O)[nH]c2c1 T22226
O=S(C1=CC=CC(N=NC2=CC=C(NC3=CC=CC=C3)C=C2)=C1)([O-])=O.[Na+] T22229
C(Nc1ncnc2[nH]cnc12)c1ccco1 T2223
O=c1nc2[nH]c3ccccc3nc2c(=O)[nH]1 T22234
OC(=O)CCCC[C@@H]1CCSS1 T22235
Cl.CC(C)NCC(O)COc1ccccc1CC=C T22236
CN(C)CCC=C(c1c(CC2)cccc1)c1c2cccc1 T22240
Cn1cncc1C[C@H](NC(=O)CCN)C(O)=O T22243
O[C@H]([C@@H](O)C(O)=O)C(O)=O.COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 T22245
CC(C)(C)OC(=O)N1CCN(CC1)c1ncnc2c(F)c(Br)c(Cl)cc12 T22249
Cc1c(O)c(=O)n(-c2ccccc2)n1C T2225
Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1 T22251
CC(C=CN1c(cc2)ccc2-c2ncco2)=C(c2cc3cnc(N)nc3cc2)C1=O T22256
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F T22259
CS(O)(=O)=O.CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 T2226
O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 T22264
O.O.CNC1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 T22265
Cl.Nc1nc(N)c(nc1Cl)C(=O)NC(=N)NCc1ccccc1 T22266
[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 T22267
[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 T22268
O.O.[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 T22269
O=C1Nc2nccc(Oc(cc3)cc(C45)c3OC4C5c3nc(ccc(C(F)(F)F)c4)c4[nH]3)c2CC1 T22272
NCC1=NNC2=CC=C(Cl)C=C12 T22273
OCCN(CCO)CC(O)=O T22274
COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C T22277L
CO[C@H]([C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C T22278
OC(=O)CCCCC(O)=O T2228
CCc1ccc(o1)-c1cc(NC2CC(C)(C)NC(C)(C)C2)nc(c1)-c1cc(C)ccc1O T22280
CN(CC1=CC(=CC(=C1N)Br)Br)C2CCCCC2 T22281
O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2cncs2)c1 T22282
CCCCCC(C)(O)\C=C\C1C(O)CC(O)C1C\C=C/CCCC(O)=O T22285
Cl.Cl.Cl.Cl.Cl.NCCNCCNCCNCCN T2229
CC(=O)NC1C(O)C(O)C(CO)OC1OC1C(O)CCOC1CO T22291
CN(CCCN1C2=CC=CC=C2SC3=CC=C(Cl)C=C31)C T22292
CC(=O)N[C@H]1[C@H](O)O[C@H](OS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O T22293
CC\C=C/CCO T22295
O.COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC T22296
O.Cl.CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C1OC(SC)C(O)C(O)C1O T22297
Cl.CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 T22299
[H][C@@]12C[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)c1ccccc1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1 T2230
O.CN(CC(O)=O)C(N)=N T22300
C[C@@H](CN(CC(N1)=O)CC1=O)N(CC(N1)=O)CC1=O T22305
OCCN1CCCC1.OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl T22307
COc1ccc2N(O)C(=O)C(O)Oc2c1 T22308
CC1OC(C)=CC1=O T22309
[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)CC)cc3CC[C@@]21[H] T2231
OC(=O)CCCCCCCCCCC(O)=O T22312
CS(O)(=O)=O.O=C(OC1CC2CC3CC(C1)N2CC3=O)c1c[nH]c2ccccc12 T22313
[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O T22314
CCN1CC(CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1 T22315
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 T22316
CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 T2232
[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O T22321
[Na+].CCC(=C)C(=O)c1ccc(OCC([O-])=O)c(Cl)c1Cl T22326
Cl.NCCO T22327
[K+].CCOC(=O)CC([O-])=O T22328
CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 T22329
OC(=O)c1ccccc1Nc1ccccc1 T22330
Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1 T22331
Cl.Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1 T22332
OC(C=C1OC(C2=CC3=O)=O)=C(O)OC1=C2C(O)=C3O T22336
[Na+].Nc1nc([O-])c2ncn(COC(CO)CO)c2n1 T22337
Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 T22338
Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O T22339
O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 T2234
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 T22340
CC1=C(C(=NO1)C)C2=CC=C3NC(=O)N4C(COC2=C34)C5=NC=CC=C5 T22345
O.O.O.COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O[Na])c2c1 T22346
OC(=O)C1CCNCC1 T22348
CCNC(=O)Nc1ccc(Oc2ncnc(N)c2\C=N\OC)cc1Cl T22349
Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 T2235
S=C(SSC(=S)N1CCOCC1)N1CCOCC1 T22350
OCC(O)C(O)C(O)C(O)C=O T22352
O.O.O.O.O.O.O.Cl[La](Cl)Cl T22353
Cl.Cl.OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 T22354
Nc1ncnc2n(ccc12)C1OC(C(O)c2ccccc2)C(O)C1O T22356
O[C@@H](C1=CC=CC(OC)=C1OC)C2CCN(CCC3=CC=C(F)C=C3)CC2 T22359
CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F T2236
CN1CCCCC1C(=O)Nc1c(C)cccc1C T22361
COC(c(c(Cl)ccc1)c1Cl)=O T22362
COC(=O)c1nccnc1N T22363
Cl.COC(=O)CCCN T22364
COC1OC(CO)C(O)C(O)C1O T22365
COC(=O)C1CCCCC1 T22366
CC1CC2C3CCC(O)(C(=O)COC(=O)CCC(O)=O)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12 T22367
C[C@](C(O)=O)(N)CC1=CC=C(O)C=C1 T22368
COc1ccc(OC)c(c1)C(O)CNC(=O)CN T22369
CC(CC1)(CN1C(C=C)=O)Nc1cccc(C(F)(F)F)c1 T22372
NC(=O)CN(CC(O)=O)CC(O)=O T22373
CCCCCC(N[C@@H](CCO1)C1=O)=O T22375
[H]Cl.O=C(C1=CC=C(F)C(Cl)=C1)N2CCC(CNCCOC3=NC=CC=C3)(F)CC2 T22379L
CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)N=C(N)N T2238
O=C(C(C1CCNCC1)(C2=CC=CC=C2)CC3)NC3=O T22380
OC(c(cccc1)c1C1=O)=C(c2ccccc2)C1=O T22381
Clc1ccc(\C=C2/SC(=O)NC2=O)c(Cl)c1 T22382
O=C(C(S1)=Cc(cc2)ccc2Cl)NC1=O T22383
Oc1ccccc1\C=C1/SC(=O)NC1=O T22384
COc1ccc(\C=C2\SC(=O)NC2=O)cc1OC T22385
Cl.CC(C)CCCC(C)N T22389
CS(O)(=O)=O.CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N T2238L
[K+].Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C T2239
Cl.CCCCCCCCNC(=N)NC(=N)NCC1=CC=C(Cl)C(=C1)Cl T22390
COC1=CC2=C(C=C1)[N]([Na])C(=N2)[S](=O)CC3=NC=C(C)C(=C3C)OC T22391
O=C1N(CC2CCCc3cccc1c23)C1CN2CCC1CC2 T22393
CS(O)(=O)=O.Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1 T22395
COc(cc(c1c2)ncnc1Nc(cc1)cc(Cl)c1F)c2NC(C=C)=O T22396
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(COc2cccnc2)n[nH]1)C(C)(C)C T22397
OC1=NN(CC1)c1ccccc1 T22398
Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C T2239L
Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 T2240
[K+].CC([S-])=O T22402
CCCOc1ccc([C@@H](CNC2=O)N2c(cc2)cc3c2nc[nH]3)cc1 T22403
[I-].C[n+]1ccccc1\C=N\O T22404
CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12 T22405
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 T22406
Cl.CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12 T22407
Nc1cc2nc3cc(N)ccc3cc2cc1 T22408
CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 T22409
Cl.CCOc1ccccc1OC[C@H]1CNCCO1 T22413
O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 T22414
Oc1cccc(O)c1C(=O)Nc1ccc(Br)cc1 T22415
Cc1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)nc(N)n1 T22416
CSC(N)=N T22419
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1 T2242
Cl.CCOc1ccccc1OC[C@@H]1CNCCO1 T22420
Cl.COc1ccc2SCCN(C)Cc2c1 T22421
CC(C)(C)c1cc(C(O)=O)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1 T22422
[Na]OC(=O)O[Na] T22426
[Na+].CC(=O)c1c([O-])cc(C)oc1=O T22427
C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccncc2)cc1 T2243
CCOc1ccccc1\C=C1/C(=O)Nc2ccccc12 T22431
O=C1Nc2ccccc2\C1=C\c1cccs1 T22432
Cl.Nc1c2CCCCc2nc2ccccc12 T22435
CN(C)C(=S)SC(=S)N(C)C T22438
CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N T2244
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1 T22442
[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C T22445
OC(c(cccc1)c1OC(c(cccc1)c1OC(c(cccc1)c1O)=O)=O)=O T22447
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 T22448
CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 T2245
C[C@@H](c1ccccc1)NC(/C(/C#N)=C/c(cc1)cc(O)c1O)=O T22450
Cl.CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(O)=O T22451
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 T22453
O.Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O T22454
Cl.CNC1CN(CC1OC)c1ccc2c(n1)n(cc(C(O)=O)c2=O)-c1nccs1 T22456
OC(=O)c1cccnc1.CN(CCO)CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 T22459
O=C1N(C)C2=CN=C(NC3=CN(C4CCNCC4)N=C3)N=C2N(C)C5=CC=CC=C15 T22460
CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC T22463
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccccc1 T22466
[H][C@@]1(O)[C@]([H])(OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2([H])[C@@]2(C)CCCC(C)(C)[C@]12[H])C=C T22467
Cl.OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O T22468
CN(C)CCc1cn(C)c2cccc(O)c12 T22469
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 T2247
NC1=NC(=O)\C(N1)=C1\CCNC(=O)c2[nH]c(Br)cc12 T22470
C#CCCC[C@H](CCCCCCCCCCC(=O)O)O T22472
CCCCC\C=C\C=C1\[C@@H](C\C=C\CCCC(O)=O)C=CC1=O T22473
C[C@@]13CCC[C@@](C)(C(=O)O)[C@]1([H])CC=C2C=C(CC[C@@]23[H])C(C)(C)O T22474
[H][C@@]12CC=C(c3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(O)CC[C@]12C T22475
Cl.CN(C)CC[C@]1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1 T22476
OC(=O)\C=C\C(O)=O.[H][C@@]12CC[C@@]([H])(N1)C(=CCC2)C(C)=O T22478
OC(=O)[C@H]1NC[C@@H]2ONC(=O)[C@H]12 T22479
O=C1NC(=O)\C(S1)=C\c1ccc2nccnc2c1 T2248
OC(=O)[C@H]1NC[C@H]2[C@@H]1ONC2=O T22480
C[C@]1([H])C[C@](C(O)=O)(N)[C@@]2([H])[C@]1([H])[C@]2([H])C(O)=O T22481
OC([C@@H]1CCCNC1)=O T22482
[Cl-].CCCCCCCC(=O)O[C@@H](CC(O)=O)C[N+](C)(C)C T22483
[Cl-].CCC(=O)OC(CC(O)=O)C[N+](C)(C)C T22484
C[C@H](CC(O)=O)[C@H](N)C(O)=O T22485
Cl.O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 T22486
N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O T22488
C[C@]1(O)[C@@H](O)[C@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 T22489
c1(ccc(c(c1)C(=O)O)N1C[C@H](CC1)OCc1ncccc1)C(F)(F)F T2249
Cl.OCCNCCCOc1cccc(Cl)c1Cl T22490
CC(=O)Nc1ccccc1Sc1cc(Cl)ccc1[N+]([O-])=O T22491
Cl.C1CN=C(N1)c1cc2ccccc2o1 T22492
OC(=O)\C=C/C([O-])=O.C[NH+]1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 T22493
Cl.Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 T22494
NC[C@@](O)(CS(O)(=O)=O)c1ccc(Cl)cc1 T22495
OC(=O)CC[C@H](CCCS)C(O)=O T22497
CCCCCCCCCCCCCCCC(=O)OC(CO)CO T22498
COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 T22499
CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1 T2250
O=C1Nc2ccccc2C2=N[C@H](CN3CCN(CC3)c3ccccc3)CN12 T22500
Cl.Cl.NCCc1ccccn1 T22501
Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O T22502
N[C@H]([C@@H](CC(O)=O)c1ccc(Cl)cc1)C(O)=O T22504
COC1=C(OC)C=C(/C=C/C(NC2=C(O)C=CC=C2C(O)=O)=O)C=C1 T22506
Cl.CN1[C@H]2CC[C@@H]1C[C@H](C2)O[C@H](c1ccccc1)c1ccc(Cl)cc1 T22508
O[C@@H](C(C)(C)OC1=C2C=C(C#N)C=C1)[C@H]2N(C)S(=O)(CC)=O T22510
[I-].C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 T22511
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 T22512
OC(=O)\C=C\C(O)=O.C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1 T22513
OC(=O)C(O)=O.Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1 T22514
[Na+].[O-]C(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 T22516
OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 T22517
Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 T22518
OC(=O)c1cc(Br)cc(c1O)-c1ccccc1 T22519
Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1 T2252
OC(=O)\C=C/C(O)=O.NCCc1c[nH]c2ccc(cc12)C(O)=N T22520
Cl.Cl.[H][C@@]1(COc2cncc(I)c2)CCN1 T22521
[I-].Cc1ccc(C[N+](C)(C)C)o1 T22522
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 T22523
CCCCCCCCCOC1=CC(C(CCN)=CN2)=C2C=C1.OC(C(O)=O)=O T22524
COC(=O)CCC[C@H](O)[C@H](O)CO T22526
COc1ccc(c(OC)c1)-c1cc(=O)c2cc(OC)ccc2o1 T22528
[H][C@@]12COP(=O)(O[Na])O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(NC(=O)c3ccccc3)ncnc12 T22529
Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1 T2253
COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl T22530
Br.CCCN(CCC)[C@H]1CCc2ccc(O)cc2C1 T22531
[Na+].[O-][N+](=O)c1cccc2cn[n-]c12 T22532
OC1=C2C[C@H](CCC2=CC=C1)N(CCC)CCC.Br T22534
OC(=O)C(O)=O.CCCN(C\C=C\I)C1CCc2cccc(O)c2C1 T22535
Oc1cc2ccccc2c2ccccc12 T22537
Cl.NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 T22538
CCCCCc1cc(O)cc(O)c1[C@H]1C=C(C)CC[C@H]1C(C)=C T22539
Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1 T2254
CCC(C)[C@@H](C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC1=CC2=CC=CC=C2N1)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)C.CC(O)=O T22540L
NC1(CCC1)C(O)=O T22542
Cl.CN(C)c1nc(N)c(nc1Cl)C(=O)Nc1cccnc1 T22543
Cl.CC(=O)OC1CN2CCC1CC2 T22544
O=[P@@](OC)(NC(C)=O)SC T22545
O=[P@@](OC)(NC(C)=O)SC T22546
C[C@@]1(OC(=CC1=O)C(O)=O)c1ccccc1 T22547
[Na+].COc1cc(C)c(\C=C\C(\C)=C\C=C\C(\C)=C\C([O-])=O)c(C)c1C T22548
OC([C@]1(C[C@@H](C(O)=O)[C@@H](C(O)=O)C1)N)=O T22549
OC([C@]1(C[C@@H](C(O)=O)[C@@H](C(O)=O)C1)N)=O T22550
CC(C)N1C2=NC=NC(N)=C2C(C3=CC=C(NC(NC4=CC(C(F)(F)F)=CC=C4)=O)C=C3)=N1.Cl T22552
Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OC23CC4CC(CC(C4)C2)C3)c1 T22553
BrC1=CC=CC(C2=CC(C3=CN=C(N4CCOCC4)C=C3)=NC5=C2C(N)=NC=N5)=C1.O T22554
CCCN(CCC)CC1CCCCN1CC\N=C(/O)N1c2ccccc2C(O)=Nc2cccnc12 T22555
CC1(C)Cc2c(Cl)sc(c2C(=O)C1)S(C)(=O)=O T22556
N[C@]1(CCc2cc(ccc12)C(O)=O)C(O)=O T22557
C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Na+] T22559
CC1=NC(C2=NNC=C2C3=NC4=CC=CN=C4C=C3)=CC=C1.Cl T22560
OC(=O)\C=C/C(O)=O.C[C@@H](N)Cc1c[nH]c2ccc(O)cc12 T22561
Cl.Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 T22562
Cl.NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 T22565
Nc1ccc(cc1)C(=O)NCCN\C(NC#N)=N\CCCOc1cccc(CN2CCCCC2)c1 T22566
OC(=O)c1ccc(CCCc2ccc(OCCc3ccc(F)cc3)cc2)o1 T22567
CC(=O)C1(N)CC(OC2CC(O)C(O)CO2)c2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2C1 T22568
Cl.C[C@@H]1CCN=C(N)S1 T22569
O=C(COc1ccc(cc1)C(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 T2257
Br.Br.Cc1nc(N)sc1CCN T22570
[C@H]1(C2=CC=CN=C2)NCCCC1.Cl T22571
N[C@@H]([C@H](C)CC)C(N[C@@H](CC1=CNC=N1)C(N2CCC[C@@H]2C(O)=O)=O)=O T22574
N[C@H](C(N[C@H](C(N1CCC[C@@H]1C(O)=O)=O)CC2=CNC=N2)=O)[C@@H](CC)C.CC(O)=O T22574L
Cl.Clc1cccc(SC2CCNCC2)n1 T22576
Cl.CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C T22577
CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O T2258
FC1=C(C(N2)=N)C(NC32CCN(C(C4=CN=C(C#N)C=C4)=O)CC3)=C(F)C=C1.Cl T22580
CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)NCCc1c[nH]c2ccc(O)cc12 T22582
OS(O)(=O)=O.NC(=N)NCCCCNC(N)=N T22583
Cc1ccc(cc1)S(O)(=O)=O.CC#CCOC(=O)C1=CCCN(C)C1 T22584
Cc1ccc(cc1)S(O)(=O)=O.CN1CCC=C(C1)C(=O)OCC#C T22585
CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)NCc1ccc(O)c(OC)c1 T22586
C1=CC2=C(C=C1C=C3C(=O)NC(=O)S3)OC(O2)(F)F T22587
COC1=CC(=C(C=C1C=O)OC)OC T22588
Cl.[H][C@]12CN(C)C[C@]1([H])c1cc(Cl)ccc1Oc1ccccc21 T22589
OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 T2259
OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 T22590
Cl.CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 T22591
CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12 T22593
CN1CCN(CCCCN2C(=O)CN(N=Cc3ccc(o3)-c3ccc(Cl)cc3)C2=O)CC1 T22594
[O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12 T22595
CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1 T22596
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)[C@@H](O)CNC(C)(C)C T22599
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1 T2260
Br.NC(=N)SCc1ccc(cc1)B(O)O T22600
CCCCOC(=O)c1cc2c(cn1)[nH]c1ccccc21 T22602
Cl.Cc1ccc(cc1)[C@]12C[C@H]1CNC2 T22603
Cl.CNCCCCOc1ccccc1Cc1ccccc1 T22605
OCCN(CCO)C(CO)(CO)CO T22606
CN1CCC[C@@H]1CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 T22607
CC1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4 T22609
CN1C(=O)C(NCCc2ccc(F)cc2)=C(C1=O)c1c(C)[nH]c2ccccc12 T2261
CC1(C)CCC(C)(C)c2cc(ccc12)[C@H](O)C(=O)Nc1ccc(cc1F)C(O)=O T22611
Cl.O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 T22612
Cn1c2NC3=C([C@H](c4cccc(Br)c4)c2c(=O)n(C)c1=O)C(=O)c1ccccc31 T22615
BrC1=C2C(N3[C@H](C4=C(C(OC(C)(C)C)=O)N=CN4C2=CC=C1)CCC3)=O T22616
OC(=O)C(O)=O.CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC T22619
OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1 T2262
CCN(CC)CC.[H][C@@]12CO[P@](O)(=S)O[C@@]1([H])[C@@]([H])(O)[C@@]([H])(O2)n1cnc2c(N)ncnc12 T22621
[K+].CC1(C)N([O])C(c2ccc(cc2)C([O-])=O)=N(=O)C1(C)C T22623
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCC\C(O)=N\CCc1cnc[nH]1 T22624
C1CCC(CC1)c1nn2c(nnc2s1)-c1ccco1 T22625
O=C(C1=C2C3=C(C4=C1C5=CC=CC=C5N4C)N(CCC#N)C6=C3C=CC=C6)NC2=O T22627
CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C T22629
[Na+].Nc1nc(=O)c2ncn(CCC(CO)C[O-])c2[nH]1 T22630
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCC(C)CC1 T22632
NC1=C2C(N=C(C(N3CC(OC)C3)=O)C=C2)=C(C4=CC=C(C5=CN(C)N=C5)C=C4)C=N1 T22633
O=C(C(C=CC1=C2Cl)=CC1=NC3=C2CCCC3)NCCCN(CCC)CCC T22635
Cc1ccc2nc(sc2c1)-c1ccc(N)cc1 T22636
CC1=CC(N(N=C(O2)OC)C2=O)=CC=C1NC(OCC3=CC=CC=C3)=O T22637
Cl.CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)-c1ccc(cc1)C#N T22638
C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1ncn[nH]1 T22639
OC(=O)Cc1cc2ccccc2nc1C(O)=O T22640
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N T22641
Cl.CC1=C(N2C(SC1)C(NC(=O)C(N)c1ccccc1)C2=O)C(O)=O T22643
CCCCCCCCCCCCCC=CC(O)C(CO)NC(C)=O T22644
ClC1=CC=CC=C1CN2C3=CC=CC=C3C4(NN=C(S4)C5=CC=CC=C5)C2=O T22646
Cl.CCP(O)(=O)CCCN T22647
OP(O)(C/C(C)=C/[C@H](C(OCC)=O)N)=O T22648
NCCCP(O)(=O)CC1CCCCC1 T22649
Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F T2265
Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1 T22650
Cl.C[C@H](NC[C@H](O)CP(O)(=O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 T22651
CC(C)(CO)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C T22652
OC(=O)[C@@H]1C[C@H](CP(O)(O)=O)CCN1 T22654
COc1ccc(cc1)-n1[nH]c2c3CCCCCc3ncc2c1=O T22655
[H][C@@](Cc1ccc2c(c1)oc1ccccc21)(NCP(O)(O)=O)C(O)=O T22656
CCOC(=O)NCCCC(=O)NCCc1ccccc1 T2266
[Na+].NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O T22660
Fc1ccccc1-c1cc(=O)c2cc3OCOc3cc2[nH]1 T22661
O[C@@H](C(C)(C)OC1=C2C=C(C#N)C=C1)[C@H]2N(C)S(=O)(CC)=O T22662
CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC T22665
CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)\C=C\c1cccc(c1)[N+]([O-])=O T22667
CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C2CCC2)c1)C(O)=O T22668
Nc1c(C(O)=O)c2nc3c(cccc3oc2cc1=O)C(O)=O T22669
Cc1nn(C)c2OC(N)=C(C#N)C(c12)c1ccc(cc1)C(F)(F)F T2267
CC(C)CN1CCC(CNC(=O)c2cc(Cl)c(N)n3cc(C)nc23)CC1 T22671
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4N(C)C(=O)C=C[C@]4(C)[C@@]3([H])CC[C@@]12C)C(\O)=N\c1ccccc1Cl T22672
N[C@@H](Cc1o[nH]c(=O)c1Cl)C(O)=O T22673
Cl.Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1 T22674
NC(=O)N\N=C\c1ccc(Oc2ccc(F)cc2)cc1 T22675
OC(=O)c1cc(Oc2ccc(cc2)[N+]([O-])=O)cc(Oc2ccc(cc2)[N+]([O-])=O)c1 T22678
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)\N=C(/O)c1cn(CCCCC)c2ccc(cc2c1=O)-c1ccccc1 T22679
c1(c(cc(c(c1)c1c(c([nH]n1)C(=O)NCC)c1ccc(cc1)OC)O)O)Cl T2268
CN1CCC[C@@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12 T22681
Cl.CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C T22682
COCNC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 T22683
Cl.CCCCC\N=c1\ccn(Cc2ccccc2)c2ccccc12 T22684
CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO T22685
[H][C@]1(CCCN(C1)C(=O)Cc1ccc(cc1)C(C)C)c1cccc(OC(C)(C)C(O)=O)c1 T22686
COc1ccc(cc1O[C@@H]1C[C@H]2CC[C@@H]1C2)C1CNC(=O)NC1 T22687
Cl.Cl.Oc1ccc2[nH]cc(C3=CCNCC3)c2n1 T22688
Cl.CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1 T22689
Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C T2269
COc1ccccc1CN[C@@H]1[C@H]2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 T22690
Cl.Cl.COc1ccccc1CN1CCC[C@H](N)[C@@H]1c1ccccc1 T22691
CCOC(=O)[C@]12C[C@H]1\C(=N\O)c1ccccc1O2 T22692
ClC(C=C1)=CC=C1C2=CSC(N/N=C3CCCC\3)=N2.Cl T22693
CN(C)c1ccc(\C=C\C(=O)\C=C(/OB(F)F)\C=C\c2ccc(cc2)N(C)C)cc1 T22694
COC(=O)C1C2CCC3C45CC(OC4OC(O2)C13CCC5C)c1ccoc1 T22695
COC(=O)C1=CCCC2C34CC(OC3OC(=O)C12CCC4=C)c1ccoc1 T22696
CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1 T22697
[H][C@](Cc1ccccc1)(\N=C(/O)c1sc2cc(F)ccc2c1Cl)C(O)=O T22698
COc1c(cc(cc1)/C=C/C(=O)Nc1c(cccc1)C(=O)O)OC T2270
NC(=O)c1sc2c(cc(cc2n1=O)C(F)(F)F)N(=O)=O T22700
COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc34)c2=O)cc1 T22702
Cc1cc(C(=O)Cn2cc(ccc2=O)C#N)c(C)n1Cc1ccccc1 T22703
N[C@H](CCP(O)(O)=O)C(O)=O T22704
OC(=O)[C@H]1CN(C\C=C\P(O)(O)=O)CCN1 T22705
Cc1oc(nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1)-c1ccccc1 T22708
Cl.CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)N1Cc2ccccc2NC1=O T22709
Cl.COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1OC T2271
FC1=CC=C(C(N=C2C3CCNCC3)=C(S2)C4=NC(NC5CC5)=NC=C4)C=C1.Cl.Cl T22710
Clc1cccc(\C=N\N=C/c2cccc(Cl)c2)c1 T22711
CC[C@](/C(O)=N/CC(F)(F)F)(NC1=NC(C2=CNC3=C2C=CC=N3)=NC=C1)C T22712
OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccccc1 T22713
[I-].CCN1C(=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 T22714
CC(C=CO1)(C)OC2=C1C(NC3)=C(C=C2)[C@]3(C4(C)C)C[C@]5(N(C)C6=O)[C@@]4([H])C[C@]6([C@](C)(O)CC7)N7C5 T22716
SCC1=C(C(O)=O)N2[C@]([C@H](NC(/C(C3=CSC(N)=N3)=N\OC)=O)C2=O)([H])SC1 T22717
CC(N(C1=N2)C3=C2C=CC(N)=C3)=C(S1)/C(O)=N/C4CCCCC4.Cl T22718
Cc1cccc(Cc2cnc[nH]2)c1C T22719
Fc1cccc(\C=N/N=C\c2cccc(F)c2)c1 T22720
CCCC\C(O)=N\CCc1c(Cc2ccccc2)[nH]c2ccccc12 T22721
CC(C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O T22722
O[C@H]([C@H](CO)N)CCCCCCCCCCCCCCC T22723
Cl.Cl.CN(C)CCCSC(N)=N T22724
COc1ccc(cc1OC)-c1cc(=O)c2ccc3ccccc3c2o1 T22725
CCCCCCCC(=O)OCCOC(=O)CCCCCCC T22726
Cl.CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1 T22727
CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 T22728
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)-c1ccccc1)C(=O)CC(C)(C)C2 T2273
C(C(C(=O)O)N)P(=O)(O)O T22730
[O-][P@](O)(CC[C@H](C(O)=O)N)=O.[Na+] T22731
[Na+].NC(CCCP(O)([O-])=O)C(O)=O T22732
NC(CCCP(O)(O)=O)C(O)=O T22733
N[C@@H](CCCCCP(O)(O)=O)C(O)=O T22734
Cl.Cl.CN(C)c1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 T22735
COC1=CC(/C=N/N=C/C2=CC=CC(OC)=C2)=CC=C1 T22736
C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 T22737
CC1(C)CCC=[N+]1[O-] T22739
CCOC(=O)C(C#N)C1C(C(=O)OCC)=C(N)Oc2ccc(Cl)cc12 T2274
Cl.Cl.COc1cc(OC)c2cc(cnc2c1)-c1ccncc1 T22740
Cl.COc1cc(C[C@H](C)N)c(OC)cc1Br T22741
Cl.COc1cc(C[C@H](C)N)c(OC)cc1I T22742
CCNC1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O T22743
CCCN(c1c(C(N2CCC)=O)[nH]c(C3CCCC3)n1)C2=O T22744
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1 T22745
OC(=O)\C=C\C(O)=O.CCN(CC)CCOc1ccc(Cc2ccccc2)cc1 T22746
Cl.OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N T22747
Cc1nc(O)c2CSCCc2n1 T22749
COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl T2275
Cl.OC1=Nc2ccc(Cl)c3CCCC1(CCCCN1CCC(=CC1)c1ccc(Cl)cc1)c23 T22750
Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1 T22751
Cl.Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)nc3CCCCn3c2=O)CC1 T22753
CCCCCCCCNC(=O)C(=C/c1cn(CCCN(C)C)c2ccccc12)\C#N T22754
[Fe++].C1CCCC1.O=C1Nc2ccccc2\C1=C/C1CCCC1 T22755
CCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1 T22757
COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C T22758
ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 T2276
Cl.CC[C@@]1(Cc2ccccc2O1)C1=NCCN1 T22760
Br.CCSC(N)=N T22761
Cl.Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1 T22762
ClC1=CC=C2NC(C)=C(C2=C1)C3=CCNCC3.Cl T22763
Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl T22765
OC(=O)\C=C/C(O)=O.Cc1ccc2c(c1C)n(CCCN)c1ccccc1c2=O T22766
CC(C)c1cccc2c(cc(nc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O)-c1ccccc1 T22767
COC1=CC(=O)c2c(c(COc3ccc(cc3)[N+]([O-])=O)c(C)n2C)C1=O T22769
Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1 T2277
CCCC(=N)NCCC[C@H](N)C(=O)OCl T22770
C1(C2=CC(C3=CC=NC=C3)=NN2)CCNCC1 T22771
[Cl-][Mn+3]123[N](CC[N]2=CC4=C(OC)C=C(OC)C=C4[O-]3)=CC5=C(OC)C=C(OC)C=C5[O-]1 T22773
NC(C(NC(C(NC(C(NCC(N1CCCC1C(NC(C(NC(C(NC(C(O)=O)CC(C)C)=O)CC2=CC=CC=C2)=O)CCCCN)=O)=O)=O)CC(O)=O)=O)CCC(O)=O)=O)CC(C)C.O=C(O)C(F)(F)F T22774L
O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C1=O T22775
O.OC(=N)OCC(COC(O)=N)c1ccccc1 T22778
Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 T22779
CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1 T2278
O\N=C\c1ccc(c(Cl)c1O)-c1ccc(O)c(F)c1 T22780
NCCc1cc(=O)oc2c3CCCN4CCCc(cc12)c34 T22781
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1 T22782
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 T22783
O=C(NCCCCC1CCN(C(C2=CC=CC=C2)=O)CC1)/C=C/C3=CC=CN=C3.Cl T22785
CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O T22787
COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 T22788
COc1cc(\C=N/NC(=O)c2ccc3OCOc3c2)ccc1OCc1ccccc1 T22789
Cl.CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1 T2278L
Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O T2279
O=C(C1=NC(C(C=C2)=CC=C2OC)=C(C(C=C3)=CC=C3OC)S1)N4CCN(C)CC4.Cl T22790
COC(=O)\C=C1\S\C(=N/C(=O)c2ccc(Cl)cc2Cl)N(C1=O)c1ccc(Cl)cc1 T22792
O=C(N1CCN(C)CC1)C2=NC(C3=CC=C(OC)C=C3)=C(S2)C4=CC=C(OC)C=C4.Cl T22793
[H][C@]12CC=C[C@@]1([H])c1cc(ccc1N[C@@]2([H])c1cc2OCOc2cc1Br)C(C)C T22794
Cl[Gd](Cl)Cl T22795
[H][C@@]12CC[C@@]3([H])OC(=O)C(=C[C@@H](C)C1)[C@@]23O T22796
CS(O)(=O)=O.COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 T22797
[Na+].[O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C/C(=O)Nc1ccccc1 T22798
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 T2280
FC1=CC(F)=CC(S(C2=CC=C(C/N=C(O)/C3=CN4C=CN=C4C=C3)C=C2)(=O)=O)=C1.Cl T22801
[H][C@](O)(CO)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 T22803
O/C(CCCCCCCN1C=C(N=N1)C2=CN=CC=C2)=N\C3=CC=CC=C3C4=CC=CC=C4.Cl T22804
Cl.Cl.Cl.NC(=N)c1ccc(cc1)N1CCN(CC1)C1CCN(CC(O)=O)CC1 T22807
COc1ccc(CNC(=O)\C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 T22808
CN(C)CCCc1cc(ccc1O)C(\O)=N\c1ccc(cc1)-c1ccncc1 T22809
CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl T2281
OC(=O)c1ccccc1SCCCN1C(=O)c2cccc3cccc(C1=O)c23 T22812
CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O T22813
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O T22814
Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1 T22816
Cl.O=C1N(CC2CCCCN2)CCN1c1ccccc1 T22817
CCOC(=O)CCNC1=NC(=NC(=C1)N2CCC3=CC=CC=C3CC2)C4=CC=CC=N4.Cl T22819
COc1cc2NC(=O)\C(=C/c3ccc(O)cc3)c2cc1OC T2282
CCOC(CCNC1=CC(N2CCC3=CC=CC=C3CC2)=NC(C4=CN=CC=C4)=N1)=O.Cl T22820
CCOC(=O)CCNc1cc(nc(n1)-c1cccnc1)N1CCc2ccccc2CC1 T22821
[C@H]1(C2=CC=CC=C2)[C@H](NC3CCNCC3)C1.Cl.Cl T22822
O=C(CCCCC1CCCCC1)N1CCC(CC1)c1c[nH]cn1 T22823
NC(N)=NC(=O)Cc1c(Cl)cccc1Cl T22824
COc1ccccc1NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C T22826
Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F T22828
CCC(C)SSc1ncc[nH]1 T2283
SP(N1CCOCC1)(C2=CC=C(OC)C=C2)=S.N3CCOCC3 T22830
Cl.Cl.C[C@@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 T22831
Cl.Cl.CNCCNS(=O)(=O)c1cccc2cnccc12 T22832
Cl.Cl.NCCNS(=O)(=O)c1cccc2cnccc12 T22833
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 T22834
OC(=O)\C=C/C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)\C=C/C(O)=O)cc3)c2)cc1 T22835
[Cl-].Oc1ccc(CC[NH2+]C[C@H]2CCc3ccccc3C2=O)cc1 T22837
[Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1 T22839
O=C1NOC(C[C@@H](C(O)=O)N)=C1CCCCCC T22840
OC(=O)Cc1cccnc1C(O)=O T22841
CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)N(=O)=O T22843
CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 T22844
CC1=NOC(C)=C1C2=CC3=NC=C(N=C(O)N4[C@](C5=CC=CC=N5)([H])C)C4=C3C=C2OC.Cl T22845
COC1=C(OC)C=C(C2=CC(OC[C@H]3CCCN(C)C3)=C(OCCN4C(CC)=O)C(C4)=C2)C=C1 T22846
NC(=O)CCCCn1ccc(N\C(N)=N\CC(F)(F)F)n1 T22848
Cl.CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 T22849
Cl.Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 T2285
CCCn1c2nc(N)nn2cc(C)c1=O T22851
O[C@@H](CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N T22852
OC(=O)CCCCC\C(O)=N\N=C1CCCC1 T22853
Br.[Br-].C[N+](C)(C)CCCCCNC[C@]12C[C@H]3C[C@H](C[C@@H](C3)C1)C2 T22854
Br.Br.NCCCCCNC1(CCCCC1)c1ccccc1 T22855
CC1=C2[C@@H](O)[C@](C)(CO)C=C2C(=O)[C@](C)(O)C11CC1 T22857
Cl.COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O T22858
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C T2286
CC1N=C(N)NC(=N1)N(C)C T22860
Cl.CCn1ccnc1C[C@@H]1COc2ccccc2O1 T22861
OC(=O)\C=C/C(O)=O.CC(C)Cn1cnc2c1c1ccccc1[nH]c2=N T22862
Br.Br.C(C1CCNCC1)c1c[nH]cn1 T22863
Br.Br.C(c1cnc[nH]1)c1ccncc1 T22864
Br.Br.NCCCCCc1cnc[nH]1 T22866
Cl.CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 T22867
Cl.CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O T2287
N\C(Nc1ccc(I)cc1)=N/[C@H]1[C@H]2C[C@@H]3C[C@H](C[C@H]1C3)C2 T22870
O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 T22871
NC(C=C(O)C(C)=C1)=C1/N=N/C2=C(C)C=C(C)C(S(=O)(O[Na])=O)=C2 T22873
CC1Cc2nc(SCC(=O)Nc3nc4ccc(C)cc4s3)n(C)c(=O)c2S1 T22875
Cl.[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCC T22877
Cl.Cl.C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1 T22878
OC(=O)\C=C\C(O)=O.CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1 T22879
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 T2288
CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 T22880
CN1CCN(C2=CC=C(/N=C3C4=CC=CC=C4NC5=CC=CC=C5\3)C=C2)CC1.Cl.Cl T22882
CC(C)c1ccccc1O\C(O)=N\CCc1ccc2ccccc2c1 T22883
O=C1Nc2ccccc2C11OCC2(CO1)COC1(OC2)C(=O)Nc2ccccc12 T22884
COc1cc(SC)ccc1C(=O)N1CCC(Cc2ccccc2)CC1 T22885
CC1(CCN(CC1)c1ncccn1)NCC(=O)N1CCCC1C#N T22886
Cl.COc1ccc(CCN(C)CCCOc2nsc(n2)-c2ccccc2)cc1OC T22887
CCCCCCCCCCCCCC1OC(/C1=C\CCCCC(N)=O)=O T22888
COc1ccc(C2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1 T22889
CC(C/N=C(N1)\C=CN=C1NCC2=CSC(C3=CC=CC=C3)=N2)C.Cl T22890
CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccco1 T22891
[Na+].[O-]C(=O)c1cc(=O)c2ccccc2[nH]1 T22892
CCCOc1ccc(Br)cc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1 T22893
CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F T22894
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 T22895
Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12 T22896
CS(=O)(=O)c1ccc(Cn2c3[C@@H](CC(O)=O)CCCc3c3cc(F)cc(F)c23)cc1 T22897
OC(=O)\C=C/C(O)=O.C(N1CCC2(CCc3ccccc23)CC1)c1ccccc1 T22899
Oc1cccc2ccc(C=O)nc12 T2290
Oc1c(C(=O)C2CC2)c(=O)[nH]c2cc(Cl)ccc12 T22900
OC(=O)CCC(O)=O.CN(C)CCc1c[nH]c2ccc(CN3CCN(C)S3(=O)=O)cc12 T22901
Cl.FC(F)(F)c1cc(CO[C@@H]2CCCN[C@@H]2c2ccccc2)cc(c1)C(F)(F)F T22902
Cl.Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 T22903
Cl.Cl.Cl.Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 T22904
CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 T22905
OP(O)(CCC[C@H](C(O)=O)N)=O T22909
Oc1cccc2ccc(=O)[nH]c12 T2291
N[C@@H](CCCCP(O)(O)=O)C(O)=O T22910
N[C@@H](CNC)C(O)=O.[H]Cl T22911
N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O T22912
[H][C@@](N)(C(O)=O)[C@@]1([H])C[C@@]1([H])C(O)=O T22913
Cl.C\C(N)=N/CCCC[C@H](N)C(O)=O T22914
N[C@@H]([C@H](O)C(O)=O)C(O)=O T22916
CCCCCCCCCCCCC\C=C\[C@H](O)[C@@H](N)CO T22917
OC(=O)[C@H]1CN[C@@H](C1)C(O)=O T22918
NCCCSC1=C2C(C=CC(OC)=C2)=NC3=CC=C(Cl)C=C31 T22919
CCn1cc(NC(=S)Nc2cc(Cl)ccc2OC)c(n1)C(N)=O T2292
CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C T22920
CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21 T22921
C=C1CCC23CC(CCC2C11CC(OC1=O)c1ccoc1)OC3=O T22923
C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O T22924
Cl.Cl.O=C1N(c2ccccc2C1(Cc1ccncc1)Cc1ccncc1)c1ccccc1 T22925
ClC1=CC(CNC(C2(CCNCC2)N3)=NC4=C3C=CC=C4)=CC=C1.Cl T22926
COc1cc(O)c2c(c1)\C=C\CC(O)C(O)C(O)\C=C/CC(C)OC2=O T22927
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1 T2293
Cl.COc1ccc(cc1)-c1ccccc1N1CCNCC1 T22930
Cl.CSc1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc23)CC1 T22931
CC(C)(C)C\C(O)=N\c1c(F)cc(cc1F)C(=O)\N=c1/sccn1COP(O)(O)=O T22934
[H][C@]1(CNS(C)(=O)=O)CC[C@@]([H])(CC1)\N=c1\[nH]c-2c(CCSc3ccccc-23)s1 T22935
Cl.FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 T22936
Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N T22937
CCCCc1cc(n[nH]1)C(O)=O T22938
Cc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccsc1 T22939
Nc1ccccc1NC(=O)c1cnccn1 T2294
CC(C)n1cc2C[C@@H]3[C@@H](C[C@H](CN3C)C(=O)N[C@H]3CCC[C@H]3O)c3cccc1c23 T22940
Cl.CCNCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C T22942
OC(=O)[C@@H]1C[C@H](Cc2nn[nH]n2)CCN1 T22943
OP(O)(C[C@@H]1C[C@H](C[C@@H](C(O)=O)NC2)[C@H]2CC1)=O T22944
CC(C)(C1=C(OCCN(CC(O)=O)C)C=CC(C2=CC3=C(OCO3)C=C2)=C1)C.Cl T22945
CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 T22946
Cl.COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC T22947
Cl.COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)cc1OC T22948
BrC1=CC=C(NC(N2[C@@]([C@](C(O)=N2)([H])C3=CC=CC=C3)([H])C4=CC=CC=C4)=O)C=C1 T22949
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N/O T2295
CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1 T22950
COc1ccc(cc1)-c1oc2cc(OC)ccc2c1C(=O)c1ccc(cc1)C#N T22951
Cl.CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 T22952
COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1 T22954
Cl.COc1ccccc1Oc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F T22955
Cl.C[C@@H](N)c1cccc(Cl)c1Cl T22956
NCCCOC1=CC=CC(OC)=C1C2=CC(NC(C=N3)=NC=C3C#N)=NN2.Cl T22957
CCCC(/C(O)=N/CC1=CC(C=NN2C3=CC=CC=C3OC)=C2C=C1)CCC T22958
Cl.NC(=N)NC(=N)Nc1cccc(Cl)c1 T22959
OC(=O)CCC(O)=O.Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O T2296
C[C@](N)(CCP(O)(O)=O)C(O)=O T22961
C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC=C3C=CC(=O)C(=C3)O)O T22962
[Cl-].C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1 T22963
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1 T22964
Cl.Cl.C=C=CCNCCCCNCC=C=C T22965
Cl.O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1 T22966
CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O T22967
CCCOc1cc(ccc1OC)[C@@]1(C)CNC(=O)O1 T22969
Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O T2297
Cl.CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 T22970
S=C=Nc1cccc(c1)C1(CCCCC1)N1CCCCC1 T22971
COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1 T22972
COc1ccc2nc3ccc(=O)cc3oc2c1 T22973
COC(=O)\C=C\c1cc(O)ccc1O T22974
CC/C=C\C/C=C\C/C=C\CCCCCCCCP(=O)(F)OC T22975
CC1=NC(C#CC2=CC(C#N)=CC(F)=C2)=CC=C1.Cl T22976
[I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1 T22977
CCCC(S1)=CC(C1=NC=N2)=C2N3CCN(C4=NCC(C)(C)S4)CC3.Cl.Cl T22978
Cl.CO\N=C/C1=CCCN(C)C1 T22979
Cc1cc(nc2ccccc12)N1CCCCC1 T2298
CCC(=O)OCN1C(=O)C=CC1=O T22980
[Br-].CCCCCCCCCCCCCC[N+](C)(C)C T22981
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\O)=N\Cc1cccnc1 T22984
O=P(OC)([O-])OC(COCC(F)(F)F)COCCCCCCCCCCCCCCCC.[Li+] T22985
OC(=O)c1n[nH]c2[C@@H]3C[C@@H]3Cc12 T22986
Cl.Clc1cncc(n1)N1CCNCC1 T22987
NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)C1CCCNC1 T22988
COC1=CC=C(Br)C=C1CCC2=C(C3=NCCN3)C=CC=C2F.Cl T22989
CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1 T2299
N1c2ccccc2Nc2nc3ccccc3nc12 T22990
OC(=O)c1cccnc1SCCc1ccccc1 T22991
Cl.COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 T22992
CC1=C(C(NC2=C3C(C4=CC=NC=C4N3)=CC(Cl)=C2OC)=O)C=CC=N1.Cl.Cl T22993
COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1 T22995
Cc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1 T22996
CC(/C(C=C1C2CCCCC2)=N/OS(=O)(C3=CC=CC=C3)=O)=CC1=O T22998
CCc1ccc(\C=C\C(=O)NC2=NCCS2)cc1 T22999
N[C@@H]1CCCN(C1)c1c(\C=C2/SC(=O)NC2=O)cccc1-c1ccccc1 T2300
OC[C@@H]1CCCN(C(C2=CC=C(C#CC(C=C3)=CC=C3OC)C=C2)=O)C1 T23000
FC1=CC(N2CN=C(O)C32CCN(CC/N=C(O)/C4=CC(F)=C(F)C=C4)CC3)=CC=C1.Cl T23001
CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1 T23002
[H][C@@]1(O)CCCN(C1)C(=O)c1ccc(cc1F)C#Cc1ccc(OC)cc1 T23003
CC1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc12 T23004
CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc2cc(ccc2c1)C(O)=O T23005
Cl.Cl.COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1 T23007
CN1C(C2=CC=C(OC)C=C2)=CC3=C(C1=O)C(C4=CC=NC=C4)=NO3.Cl T23008
Cl.COc1ccc(cc1)-c1cc2onc(-c3ccncc3)c2c(=O)n1C T23008L
COCc1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O T23009
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 T2301
OC1=Nc2cc(Br)ccc2N=C(C1)c1ccnc(c1)C#N T23010
[H][C@@](N)(CC(=O)N1CCc2c1c(ccc2OC)N(=O)=O)C(O)=O T23011
[H][C@@]1(CN[C@]([H])(C(O)=O)[C@@]1([H])CC(=O)N1CCc2c1c(ccc2OC)N(=O)=O)C(C)=C T23012
COc1ccc(c2N(CCc12)C(=O)CC[C@H](N)C(O)=O)[N+]([O-])=O T23013
CN[C@H](CC(=O)N1CCc2c1c(ccc2OC)[N+]([O-])=O)C(O)=O T23014
Cl.O\C(=N/CCCN1CCCCCC1)C(C1CCCCC1)c1ccccc1 T23015
Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 T23016
CC1=NC(/N=N/C2=C(Cl)C=CC(N(=O)=O)=C2)=C(C(C=O)=C1[O-])COP([O-])(O)=O.[Na+].[Na+] T23019
CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1 T2302
Cc1ncc2COP(O)(=O)OCc2c1O T23020
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 T23027
O=C(C1CCC1)NCCCNC2=NC(NC3=CC(CN4CCOCC4)=CC=C3)=NC=C2C5CC5.[xHCl] T23028
OC(=O)C(O)=O.COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1 T23029
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 T2303
CC(C)OC1=CC=C(C2=CNC=C2CN(C)CCN)C=C1.Cl.Cl.Cl T23030
CNCCN(CC1)CCC1OCC2=CC=CC=C2.Cl.Cl T23031
C[C@@](N)(C(O)=O)c1ccc(cc1)S(O)(=O)=O T23032
C[C@](N)(C(O)=O)c1ccc(cc1)-n1cnnn1 T23033
[I-].C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O T23034
Cl.COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)OCCN1CCOCC1 T23035
NCCCNCCCCNCCCNC(=O)Cc1ccc(O)cc1 T23036
CC(=O)NCC(=O)N[C@H](CCC(O)=O)C(O)=O T23037
Cl.Cl.CNCCc1c[nH]cn1 T23038
CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)NCCCC(O)=O T23039
C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O T2304
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(O)=O T23040
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN1CCN(CC1)c1ccc2ccccc2n1 T23042
Cl.[H][C@](CN1CCCC1)(N(C)C(=O)Cc1ccccc1)c1ccccc1 T23043
O=C(NC1CCCCC1)NC1CCCCC1 T23044
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C T23045
CC(C)(C)[N+](\[O-])=C\c1ccccc1 T23046
CN[C@@H](CCCN=C(N)N)C(O)=O T23047
Cl.NC(=O)CNCCC(c1ccccc1)c1ccccc1 T23048
C(#N)c1ccc(cc1)c1nc(sc1)[C@H](C)[C@@](Cn1ncnc1)(O)c1c(ccc(c1)F)F T2305
Cl.[H][C@@]1(COc2c(F)ccc(C(O)=N)c2C1)N(C1CCC1)C1CCC1 T23050
Cl.Cl.NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N T23051
NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N T23052
Cl.CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl T23057
Cl.CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(N1CC1CC1)c23 T23058
Cl.COc1cc(C#N)c(OC)cc1CCNCc1ccccc1O T23059
O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 T2306
O[C@@H]1c2ccccc2CCC\C1=C/C(O)=O T23060
CC(=O)Oc1ccccc1C(=O)Oc1ccc(CO[N+]([O-])=O)cc1 T23061
[H][C@](CCCCOC(=O)[C@@]([H])(C)c1ccc2cc(OC)ccc2c1)(CON(=O)=O)ON(=O)=O T23062
CNc1cc(OC)c(cc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C T23063
C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1 T23066
CCC(/N=C1C(OC)=NC(C2=C(OC)C=C(OC(F)(F)F)C=C2)=C(N/1)C)CC.Cl T23067
O.Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O T23068
COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 T23069
Cl.C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 T2307
Cl.CNCCC(Oc1ccccc1OC)c1ccccc1 T23070
Cl.CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O T23071
Cl.COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1 T23072
COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3ccc4ccccc4c3)CC2)C1=O T23074
Cl.OC(=O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1 T23075
[Na+].CC(OS([O-])(=O)=O)c1ccccc1[N+]([O-])=O T23079
CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 T2308
[H][C@]1(CC[C@@](C1)(\N=C(/O)OC(C)c1ccccc1N(=O)=O)C(O)=O)C(O)=O T23080
[H][C@](CCCP(O)(O)=O)(\N=C(/O)OC(C)c1ccccc1N(=O)=O)C(O)=O T23081
CC(O\C(O)=N\CCc1ccc(O)c(O)c1)c1ccccc1N(=O)=O T23082
CC(O/C(O)=N/[C@@]1(C(O)=O)CO[C@@]2([H])[C@@](C(O)=O)([H])[C@]21[H])([H])C3=CC=CC=C3N(=O)=O T23083
[H][C@@](\N=C(/O)OC(C)c1ccccc1N(=O)=O)(C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O T23084
[H][C@@](Cc1c(O)noc1C)(\N=C(/O)OC(C)c1ccccc1N(=O)=O)C(O)=O T23085
CC(O\C(O)=N\CCc1c[nH]c2ccc(O)cc12)c1ccccc1N(=O)=O T23086
CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12 T23087
OC(=O)c1cc(C(O)=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1 T23088
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O T2309
OC(=O)c1c[nH]c2c3ccccc3ccc2c1=O T23090
CCN(CC)Cc1cc(ccc1O)C(CC)=C(CC)c1ccc(O)c(CN(CC)CC)c1 T23091
COc1ccc(OC)c2c1[nH]c1ccccc1c2=S T23092
Nc1n[nH]c2nc3ccccc3nc12 T23093
C1(SSC2=CC=NS2)=CC=NS1 T23095
CC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(C)cc(O)cc1O T23097
COc1cc(C)cc(OC)c1[C@H]1C=C(C)CC[C@H]1C(C)=C T23098
OC1=C2[C@@H]3[C@@H](CC=C(C)C3)C(C)(C)OC2=CC(CC#CCCCNS(=O)(C)=O)=C1 T23099
Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl T2310
FC(F)(C1=CC=CC=C1NS(=O)(C2=C(C)C=C(C)C=C2C)=O)F T23101
CCCCCCCCCCCCCCCCCCc1cccc(c1)C(=O)C(=C)C(O)=O T23102
O=C(c1cnn2c(ccnc12)-c1ccncc1)c1ccccn1 T23104
CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 T23106
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1 T23107
[H][C@@]1(CC[C@]2(C)C[C@@]3([H])[C@]([H])(C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@]12[H])[C@@H](C)CCC=C(C)C T23108
Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O T23109
Cl.FC(F)(F)c1ccc(nc1Cl)N1CCNCC1 T23110
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@H](C[C@]34C)N3CCOCC3)[C@H]1CC[C@H]2C(=O)CCl T23111
Cl.COc1ccc2CCCc2c1O[C@H]1CCNC1 T23112
COc1ccc2[C@@H]([C@@H](c3ccccc3)C(C)(C)Oc2c1)c1ccc(OCCN2CCCC2)cc1 T23113
Cl.CCCN1CCC[C@H](C1)c1cccc(c1)S(C)(=O)=O T23114
Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccccc1 T23115
CCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 T23118
CCCCCCCCCCCCCCCC(=O)NC(C)C T23119
CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 T2312
[Na+].[Na+].Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C([O-])=O)C([O-])=O T23120
[H][C@]1(CCCN1)C(\O)=N\[C@]1([H])CCN(CC(O)=N)C1=O T23121
Cl.Cl.COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 T23122
COC(=O)C1=C(C)NC(C)=C([C@@H]1C)C(=O)OCCSc1ccccc1 T23123
CCOC(=O)c1c(C)[nH]c2ccc3O[C@@H]4N(CCc5cc(OC)ccc45)Cc3c12 T23124
CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O T23126
Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F T23128
Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1)N1CCOCC1 T2313
Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C T23130
[Cl-].[Cl-].NC(=[NH2+])c1ccc(OCCCCCOc2ccc(cc2)C(N)=[NH2+])cc1 T23132
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 T23133
CCCCCOc1ccc2nc3ccc(=O)cc3oc2c1 T23134
CC(C1=NC=C(N1)C2=CC=C(OC(F)(F)F)C=C2)(N)C T23136
Cl.Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 T23138
CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O T23139
[H][C@@]1(O)CCCC[C@]1([H])c1ccc(C#N)c(c1)C(F)(F)F T23141
OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C(C)c1ccc(Br)cc1)N2C T23144
Cl.O=C(NC1CN2CCC1CC2)c1cc2ccoc2cn1 T23145
OC(=O)\C=C\C(O)=O.[H][C@@]1(CN2CCC1CC2)\N=C(/O)c1ccc2OCCOc2c1 T23146
NC[C@@H](CP(O)(O)=O)c1ccc(Cl)cc1 T23147
CS(O)(=O)=O.N\C(Nc1ccccc1)=N/C(=O)c1nc(Cl)c(N)nc1N T23148
NC1=CC=C(C=C1)C2=NC3=CC=C(C=C3S2)C.Cl T23149
Cl.Cl.C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 T2315
Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2ccncc2)c1 T23150
O=C([C@@H](N)CCCCN)NC1=C(C)C=C(C=C1)C2=NC3=C(S2)C=CC(F)=C3.Cl.Cl T23151
OC(=O)C(F)(F)F.On1ncc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1 T23152
COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl T23154
CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2 T23156
CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=C(C=N4)C(=NC=N5)N T23157
Nc1nccc(n1)-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 T23158
Cl.COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C1=NNC(=O)CC1C T23159
CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@@H]([C@H](OC1)c1c(ccc(c1)F)F)N T2316
Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1 T23160
C1(CN2CCN(C3=NC=CC=N3)CC2)=CC4=C(OCO4)C=C1 T23161
CS(O)(=O)=O.Cc1ccc2n3CCN[C@@H]4CCCc(c34)c2c1 T23162
ClC1=CC([N+]([O-])=O)=CC(NC(NC(C2=CC=CC=C2)=O)=S)=C1O T23163
Cc1ccc(cc1)S(O)(=O)=O.[O-][N+]1=C(C(=O)c2ccccc12)c1ccccn1 T23164
OC(=O)[C@H]1CN(CP(O)(O)=O)CCN1 T23165
OC1(C=CC(=O)C=C1)c1nc2ccccc2s1 T23166
CCCNCCC1=CC=C(NS(C2=CC=C(OC(F)(F)F)C=C2)(=O)=O)C=C1.Cl T23167
[Cl-].C[N@@H+]1C2=C(CCNCC2)c2ccccc12 T23168
Cl.C1CCC(CC1)\N=C(/NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCOCC1 T23169
OC(CC(O)=O)C(O)=O.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 T2317
Cl.Cl.Fc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 T23170
[H][C@@]12CC=C(C=O)[C@H](C=O)[C@@]1(C)CCCC2(C)C T23172
[K+].OP(O)([O-])=O T23175
Nc1ncnc2n(ncc12)-c1ccccc1 T23176
[H][C@@]1(NCCN(C(=O)c2ccc3c(ccc4ccccc34)c2)[C@@]1([H])C(O)=O)C(O)=O T23179
OC(=O)[C@H]1C[C@@H](CCCP(O)(O)=O)CCN1 T23181
COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cncc(c1)C(=O)N(C)C T23182
CC1(C)OC2=CC=C3C(OC(C=C3)=O)=C2[C@H](OC(CC(C)C)=O)[C@@H]1OC(/C(C)=C/C)=O T23183
[Na+].CCCN(CCC)C(=O)C(CCC([O-])=O)NC(=O)c1ccccc1 T23185
CCN1\C(Sc2ccc(OC(C)=O)cc12)=C/C(C)=O T23186
Cl.CC(C)NC[C@H](O)c1ccc2ccccc2c1 T23187
C/C=C/CC(=N)NCCC[C@H](N)C(=O)O T23188
OC(=O)C(O)=O.C(COCc1ccccc1)Cc1cnc[nH]1 T23190
Cl.Cl.O\C(=N/c1cc(Cl)cc2c3ccncc3[nH]c12)c1cccnc1 T23191
[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S([O-])(=O)=O T23193
[Na+].Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O T23194
CCC1CN2C(=N1)c1nc([nH]c1N(C)C2=O)-c1cc(Cl)cc(Cl)c1Cl T23198
[H][C@@]1(CC)CN2C(=N1)c1nc([nH]c1N(C)C2=O)-c1ccccc1 T23199
CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 T2320
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O T23201
CCCCn1c(=O)n(CCCO)c2nc([nH]c2c1=O)[C@]12C[C@@H]3C[C@@H]1C[C@H](C2)C3 T23202
Cl.CCCC[C@H]1CC[C@@H](CC1)c1nc(no1)-c1ccncc1 T23204
OC(=O)C(O)=O.[H][C@]12CN(C[C@]1([H])c1nsnc1SCCC)CCC2 T23205
CCC(=O)N1CCc2cc(OC)c(O)cc2C1 T23206
Cl.Clc1ccc(Cn2c(Cc3ccccc3)nc3ccccc23)cc1 T23208
FC(F)(F)c1cccc(c1)N1C(=S)N=C2C=C(C=C[C@@H]2C1=O)C(=O)NCc1ccccc1 T23209
ClC1=CC=C2C(NC(C)CCCN(CC)CC)=C3C(C=CC(OC)=C3)=NC2=C1.Cl.Cl.O T23210
Cl.Cl.CCCN1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]12 T23211
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.C1CN(CCN1)c1ccc2ccccc2n1 T23212
Cc1cccc(C)c1\N=C(/[O-])C[N+](C)(C)C T23213
FC1=CC=CC=C1S(N2CCOC3=C(N4CCNCC4)C=CC=C32)(=O)=O.Cl.Cl T23214
N[C@@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O T23215
N[C@](C(O)=O)([H])C1=CC(C(O)=O)=C(O)C=C1 T23216
OC(=O)CNc1ccc(cc1)C(O)=O T23217
OC1=CC=CC2=C1C[C@@H](CC2)N(CCC)CCC.Br T23218
Cl.[H][C@]1(O)CN(C)[C@]([H])(CCOc2ccccc2CCc2cccc(OC)c2)C1 T23219
Cc1o[nH]c(=O)c1C[C@@H](N)C(O)=O T23220
O=C(NO[C@H](C)C(NC1=CC=C(Cl)C=C1)=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2 T23221
OC([C@@H]1NCCN(CCCP(O)(O)=O)C1)=O T23222
Oc1ccc(C[C@@H](C#N)c2ccc(O)cc2)cc1 T23223
Cl.Cl.CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 T23224
O=C(C1=C(C)NC(C)=C(C(OC)=O)[C@H]1C2=CC=CC([N+]([O-])=O)=C2)OCCCN3CCC(C4=CC=CC=C4)(C5=CC=CC=C5)CC3 T23225
CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC T23227
OC(C(O)C(O)=O)C(O)=O.C1(C2=CN=CC=C2)CC=CCN1 T23228
CC(C)N(CCC(c1ccccc1)c1cc(C)ccc1O)C(C)C T23229
Cl.C[C@](Cc1ccccc1)(NC(=O)CN)c1ccccc1 T23231
Cl.CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC T23232
Cl.Cl.C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 T23234
CNCC/C([H])=C([H])/C1=CN=CC=C1.CNCC/C([H])=C([H])/C2=CN=CC=C2.OC(C(O)=O)=O T23235
Cl.Cl.C1CN2CCC1CC2c1cccnc1 T23236
CCOC(=O)\N=C(/O)C(c1ccccc1)c1ccccc1 T23238
[Cl-].COc1cc2CC[N@H+](C)[C@H](CCc3ccc(Cl)cc3)c2cc1O T23239
CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1 T23240
O=S(c1ccccc1)c1ccc2nnnn2n1 T23242
CN1Cc2c(ncn2-c2ccsc2C1=O)C(=O)OC(C)(C)C T23243
Cl.CN(C)C[C@@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 T23244
COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I T23245
OC(=O)\C=C\C(O)=O.C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 T23246
Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1 T23247
CCCCOC(=O)NC(=O)C1c2ccccc2Oc2ccccc12 T23248
[Cl].[H][C@@](O)(COc1ccc(cc1)C(N)=O)CN1CCC(=CC1)c1ccc(F)cc1 T23249
Cl.Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 T23250
COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1 T23251
CC(C1=O)=CN=C(O)N1CCCN2CCN(C3=CC=CC=C3OCC(F)(F)F)CC2.Cl T23253
CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]1CN2CCC1CC2 T23254
Cl.COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1 T23255
Cl.O=c1n(Cc2ccncc2)c(=O)c2cccnc2n1-c1cccc(c1)N(=O)=O T23256
OC([C@H](C1=CC=C(C(O)=O)C(C(O)=O)=C1)N)=O T23257
NC(C(O)=O)C1=CC(O)=CC(O)=C1 T23258
OC1=CC([C@@H](C(O)=O)N)=CC=C1 T23259
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 T2326
OC1=CC([C@@H](C(O)=O)N)=CC=C1C(O)=O T23261
OC([C@H](C1=CC=C(C(O)=O)C=C1)N)=O T23262
Cl.Clc1cccc2CN(Cc12)C1=NCCN1 T23263
Cl.[H][C@@]1(CN2CCC1CC2)NC(=O)C(=O)c1cn(C)c2ccccc12 T23264
Cl.CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 T23265
Cl.CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@H]12 T23266
Br.Cc1o[nH]c(=O)c1C[C@@H](N)C(O)=O T23267
N[C@]1(CCc2cc(ccc12)P(O)(O)=O)C(O)=O T23268
OC([C@@H]1NCCN(CCCP(O)(O)=O)C1)=O T23269
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C T2327
[Na+].[Na+].CC(N)(C([O-])=O)c1ccc(cc1)C([O-])=O T23270
NC(=O)c1cccc(NC(=O)\C=C\c2c[nH]c3ccccc23)c1 T23271
[K+].CCCC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC3(O)CCC([O-])=O)C12 T23272
N.N.N.N.N.N.N.N.N.N.N.N.N.N.[Ru][Ru](=O)[Ru]=O.Cl[Cl](Cl)[Cl](Cl)Cl T23280
C1Cc2sccc2C(=C1)c1cnc[nH]1 T23281
Cl.COC1(COc2ccccc2O1)C1=NCCN1 T23283
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O T23284
COC1=CC2=C(C=C1)C=CC=C2N3CCN(CC3)CCNC(C4=CC=C(F)C=C4)=O.Cl T23285
[I-].C[n+]1ccccc1CC(=O)c1ccc(Br)cc1 T23286
OC([C@H](C1=CC=C(C(O)=O)C(C(O)=O)=C1)N)=O T23288
N[C@H](C(O)=O)c1cc(O)cc(O)c1 T23289
[Na+].CC1CCOC2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12 T2329
OC1=CC=C(C=C1C(O)=O)[C@H](C(O)=O)N T23290
N[C@@](C(O)=O)([H])C1=CC(O)=CC=C1 T23291
Cl.COc1ccc(cc1N1CCN(C)CC1)\N=C(/O)N1CCc2c1ccc1ccccc21 T23292
[Na+].[Na+].CCCCCCCCCCCCCC(=O)Nc1ccc(CP([O-])([O-])=O)cc1 T23293
OC1=CC([C@@H](C(O)=O)N)=CC=C1C(O)=O T23294
N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(O)=O T23295
O=C(NO[C@@H](C)C(NC1=CC=C(Cl)C=C1)=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2 T23296
OC(/C=C\C(O)=O)=O.C[C@H](C1=NC=CC=C1)C2=C(CCN(C)C)CC3=CC=CC=C23 T23297
N[C@H]1CCN(O)C1=O T23298
O=C1NOC(C[C@@H](C(O)=O)N)=C1CCCCCC T23299
Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 T2330
Br.CC(C)SC(N)=N T23300
Cl.CC(C)NC[C@H](O)COc1cccc2ccccc12 T23302
[Na+].NC(CSS(O)(=O)=O)C([O-])=O T23303
C[C@@]1(NCCc2cc(O)c(O)cc12)C(O)=O T23305
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 T23306
CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1 T23307
Cl.O=c1[nH]ccc2cc(OC3CCNCC3)ccc12 T23308
Cl.Cl.OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 T23309
Cl.Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 T2330L
Cl.O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12 T23310
Cl.CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1 T23311
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1 T23312
Cn1ccc2cc3N(CCc3cc12)C(\O)=N\c1cccnc1 T23314
COC(=O)[C@@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 T23316
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F T23317
COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1 T23318
Cl.[H][C@@](C)(CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1 T23319
c1c(c(c(cc1)Cc1cc2c(=O)c(C(=O)O)cn(c2cc1OC)[C@@H](C(C)C)CO)F)Cl T2332
CN(C(=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)c1nccs1)c1ccccc1C T23320
COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12 T23321
CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1 T23322
CN(C)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(cc2Cl)C(F)(F)F)ccc1Cl T23323
Cl.[H][C@]1(CN2CCC(CC2)c2c(Cl)cccc2Cl)CCc2c(C)cccc2[C@@]([H])(O)C1 T23324
Cc1cc(F)ccc1-c1nc(NCCNC(=N)N[N+]#[C-])nc2n(-c3c(F)cccc3F)c(=O)ccc12 T23327
CCN1C2=C(CNC3CCNCC3)C=NC=C2N=C1C4=NON=C4N.Cl.Cl T23328
CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 T23329
C=C1CCN(CC1)[C@@H]([C@@](c1ccc(cc1F)F)(Cn1cncn1)O)C T2333
CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc12 T23330
Cl.Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCc3ccncc3)c2c1 T23331
Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCSCc3ccco3)c2c1 T23332
CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F T23333
Clc1cccc2c(cccc12)S(=O)(=O)NCCCCCCc1ccccc1 T23334
Cc1ccccc1C(N1[C@H]2CC[C@@H]1C[C@@](O)(C2)c1ccccc1)c1ccccc1C T23335
COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 T23336
Oc1ccccc1C(=O)NN\C=C1\C=CC=CC1=O T23339
COc1ccc(CNc2nc(ncc2C(=O)NCc2ncccn2)N2CCC[C@H]2CO)cc1Cl T2334
COC(=O)[C@@H]1[C@H]2C=CC(=O)[C@@H]([C@@H]1C(=O)OC)N2Cc1ccccc1 T23340
Cl.CC(=C)CN1CC[C@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(O)Cc1c4[nH]c2ccccc12)ccc5O T23341
CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC T23342
CC(C)OC(=O)c1cc2c(OC[C@H](O)CNC(C)(C)C)cccc2[nH]1 T23343
[H][C@](N)(Cc1cc(cc(CP(O)(O)=O)c1O)-c1ccc(Cl)cc1Cl)C(O)=O T23344
OC(=O)\C=C\C(O)=O.[H][C@]12CCN(C)C[C@@]1([H])c1cccc3CCN(C2)c13 T23346
CO[C@@H]1[C@@H](O)[C@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12 T23347
O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 T23348
S=C(NC(C=C1)=CC=C1OCC)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O T23349
CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1 T2335
BrC1=CC=C(O)C(/C([H])=N/NS(C2=CC=CC=C2)(=O)=O)=C1 T23351
OC(=O)\C=C\C(O)=O.CN1CCC[C@H]1c1cncc(c1)C#C T23352
Cc1cccc(\C=C/c2ccccc2)n1 T23353
CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O T23354
Cl.N=C1ON=[N](=C1)N1CCOCC1 T23356
OC(C=CC1=CC=CC=C12)=C2CC(C(O)=NC(S)=N3)=C3C4=CC=CC=C4 T23357
Br.Oc1cc2CCNCC(c3ccccc3)c2cc1O T23359
Br.Oc1cc2CCN(CC=C)C[C@H](c3ccccc3)c2cc1O T23360
Br.Oc1cc2[C@H](CNCCc2c(Cl)c1O)c1ccccc1 T23361
Br.CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1 T23362
Br.Cc1cccc(c1)[C@H]1CN(CC=C)CCc2c(Cl)c(O)c(O)cc12 T23363
Br.CN1CCc2c(Cl)c(O)c(O)cc2[C@H](C1)c1cccc(C)c1 T23364
Cl.Cl.Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1 T23365
Cl.CN1CCc2cccc(Cl)c2CC1 T23366
Cl.Cl.CN(C)CCCCSC(N)=N T23367
CP(O)(=O)CCCN T23368
OC(=O)\C=C\C(O)=O.CC[C@@H](Oc1ccc(Cl)cc1)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C T23369
COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1 T2337
Cl.CC1CC(C)CN(CCC(=O)Nc2ccc(Br)cc2)C1 T23370
O=C1C2=CC=CC=C2C3=NC4=NON=C4N=C31 T23371
Brc1cccc(c1)N1C(=S)NC(=O)\C(=C/c2ccco2)C1=O T23372
CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12 T23373
OC([C@H](C(C)(C)SN=O)NC(C)=O)=O T23375
[H][C@](N1C[C@@]([H])(C)N(CC=C)C[C@]1([H])C)(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC T23376
[Na+].CC([O-])=O T23377
[Na+].OP(O)([O-])=O T23378
Cl.[H][C@]12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 T23379
[O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 T2338
NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 T23380
Cl.Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 T23381
O=C1NCN(c2ccccc2)C11CCN(C[C@@H]2COc3ccccc3O2)CC1 T23382
CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O T23383
CC(C=CC=C(C=CC1=C(C)CCCC1(C)C)c1ccc(C)cc1)=CC(O)=O T23384
O=C(C)N(CC1)CCN1CC2=CC=C(C3=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C=C3)C=C2.Cl T23387
[H][C@@]1(C[C@]2([H])CCC[C@]([H])(C1)N2C)N1C(=O)Cc2ccccc12 T23388
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F T2339
Cl.OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1 T23390
Cl.NC1CCN(CC1)c1cccc(Cl)n1 T23394
CC(N1)=C(C2=C1C=CC(Cl)=C2)CCN(C)C.OC(C(O)=O)=O T23396
[Cl-].CCc1cccc(CC)c1NC1=[NH+]CCN1 T23397
C[N+]1(C)CCC[C@H]1C([O-])=O.Cl T23398
CCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 T23399
Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(Cl)cc23)[nH]1 T2340
OC1=CC=C(C=C1)CCNC2=C3C(N(C(C)C)C=N3)=NC(C4=CSC5=C4C=CC=C5)=N2.Cl T23400
[Cl-]1[Cl-][Sr++]1 T23401
Nc1ccc(cc1)S(=O)(=O)N([Na])c1nccs1 T23402
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C\c1ccc(cc1)S(C)(=O)=O T23403
CS(=O)(=O)NC(=O)CCC\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)COc2ccccc2)[C@H](O)CC1=O T23404
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 T23405
C\C(Nc1ccccc1N)=C1/C(C)=CC(=O)N(O)C1=O T23406
CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 T23408
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 T2341
OS(O)(=O)=O.NC(N)=NCCCCCCCCCCN=C(N)N T23410
NC\C=C\C(O)=O T23414
Fc1ccc(cc1F)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1 T23415
Cl.CNCCC[C@@]1(OC(C)(C)c2ccccc12)c1ccccc1 T23416
[Cl-].C[NH2+]CCC[C@@]1(SC(C)(C)c2ccccc12)c1ccccc1 T23417
O=C1NC(SCCC(N[C@H]2CC[C@H](OC3=CC=C(C#N)C=C3)CC2)=O)=NC4=CC=CC=C41 T23419
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1 T2342
O=C1NC(SCCC(N[C@H]2CC[C@H](C3=NN=C(C4=CC=CC=C4)O3)CC2)=O)=NC5=CC=CC=C51 T23420
CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1nccs1 T23422
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 T23423
Cl.Cl.C1CN2CCC1CCC2c1cccnc1 T23424
OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CCOc1cncc(\C=C\CCNC)c1 T23425
Cl.CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)[nH]n2)cc(C)c1[N+]#[C-] T23426
Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl T23427
COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2ccc(OC)cc2)n1 T23428
ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1 T23429
N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1 T2343
CCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12 T23430
CC(C(O)=O)c1ccc(C(N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F T23431
[H][C@@]1(CCCN(C1)c1nccc(n1)-c1cc2ccccc2o1)n1c2ccccc2n(CC)c1=O T23432
OC(=O)\C=C/C(O)=O.Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 T23433
OC(=O)c1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2F)cc1 T23434
COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C T23435
Cc1ccc(Nc2nnc(o2)-c2ccc(cc2)[N+]([O-])=O)cc1Cl T23436
COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O T23438
CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 T2344
C1Cc2n[nH]cc2-c2[nH]\c(=N\c3ccccn3)sc2C1 T23440
CC(C)c1ccc(C)cc1Oc1cnc(N)nc1N T23442
Br.COc1cc(Br)c(OC)c2C[C@H](CN)c12 T23443
Fc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 T23444
C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1 T23445
O\N=C(/O)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1 T23446
Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CNC3CC3)cc2)n[nH]1 T23447
O[C@H](Cc1ccccc1)\C=C/[C@H]1CCC(=O)N1CCCCCCc1nn[nH]n1 T23448
O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1 T23449
COc1cc(Br)c(Nc2nc(cs2)-c2c(C)nc3ncccn23)c(Br)c1 T2345
[O-][N+](=O)c1ccc(cc1)C1=NN(C(=O)C1)c1ccccc1 T23450
FC1=CC(N2C[C@H](CO)OC2=O)=CC=C1C3=CC=C(C4=NN(C)N=N4)N=C3.Cl T23451
Cl.Cl.CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1 T23452
CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1 T23453
[H][C@@](N)(C(O)=O)[C@]([H])(OCc1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O T23454
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4N(C)C(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(\O)=N\c1ccccc1C(F)(F)F T23455
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 T23456
CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F T2346
Cl.CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1 T23462
[Na+].CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 T23465
CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N T23466
CP(O)(=O)C1=CCNCC1 T23467
NC(=N)SCc1ccc(CSC(N)=N)s1 T23468
NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc12 T23469
Cl.CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12 T23470
Clc1ccccc1C(C#N)(c1ccccc1)c1ccccc1 T23471
[Na+].COc1ccc(C=CC(=O)Nc2ccccc2C([O-])=O)cc1OC T23472
OC\C=C\C(O)=O T23473
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O T23474
Cl.CCn1c2ccccc2n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c1=O T23475
Cl.COc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC T23476
Cl.NC(CO)(CO)CO T23478
C[C@H]([C@@H](C(N)=O)NC([C@@H]1CSSC[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N1)=O)CCCCN)=O)Cc(c[nH]2)c3c2cccc3)=O)Cc4ccc(O)cc4)=O)NC([C@@H](Cc5ccccc5)N)=O)=O)O.C(=O)(C(F)(F)F)O T23479L
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 T2348
Cl.Cc1cc2c(nc(nc2n1C)N1CCCC1)N1CCCC1 T23481
Clc1ccc-2c(c1)C1=NCCN1c1c(ncn-21)-c1noc(n1)C1CC1 T23482
OC(=O)\C=C\C(O)=O.CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 T23483
CS\C(N)=C(/C#N)\C(\C#N)=C(/N)SC T23484
ClC1=NC=C(C2=CCC[C@]3([H])CC[C@@]2([H])N3)C=C1.O=C(O)/C([H])=C([H])/C([*])=O T23485
[H][C@](N)(Cn1ccc(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C(O)=O T23487
NC(Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O T23488
[H][C@](N)(Cn1cc(I)c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C(O)=O T23489
C[C@]1(CCCN1c1nn2cccc2c(n1)Nc1n[nH]c(c1)C1CC1)C(=O)Nc1cnc(cc1)F T2349
[H][C@](N)(Cn1cc(C)c(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O T23490
Cc1cc(ccc1P(O)(O)=O)[C@](C)(N)C(O)=O T23491
CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)NCc1ccoc1 T23494
[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 T23495
OC(=O)\C=C/C(O)=O.[H][C@]1(C)c2cccc(OC)c2CC[C@@]1([H])N(CCC)CCC T23496
Cl.COc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 T23497
NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1 T23498
COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(n1)-c1ccc(NC(=O)CCl)cc1 T2350
C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F T23501
Cl.[H]C12C[C@@]([H])(CNC1)c1cc3nccnc3cc21 T23502
CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1ccc(O)cc1C T23503
Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1 T23504
ClC1=CC(Cl)=CC(NC([C@@H]2[C@H](C([O-])=O)CCCC2)=O)=C1.[Na+] T23507
O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1 T23508
Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N T23509
Cl.Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1 T23510
Cc1nc2cc(ccc2s1)-c1cc(F)cc(c1)C#N T23511
Cl.O\C(=N/CCN1CCC2(CC1)N(CN=C2O)c1cccc(F)c1)c1ccc2ccccc2c1 T23512
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Cl)cc1 T23513
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1F)-c1ccccc1 T23514
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 T23515
COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1 T23518
Br.Br.C(CC1CCNCC1)Cc1cnc[nH]1 T23519
Br.Br.NC(=N)NCCSC(N)=N T23520
CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(Sc2ccc(cc2)[N+]([O-])=O)cc1 T23521
Cl.NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 T23522
Cl.NCCCCCCNS(=O)(=O)c1cccc2ccccc12 T23523
Cl.NCCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 T23525
Cl.Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl T23526
Cl.Cl.CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 T23527
O=S(NC1CCNCC1)(C2=C(C(F)(F)F)C=CC(S(=O)(C3=CC=CC=C3)=O)=C2)=O.Cl T23529
CC1(C)C(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1(C)C T2353
C1CN(CCC1N2C3=C(C=N2)C(=NC(=N3)C4=CC5=C(C=C4)NC=C5)N6CCOCC6)CC7=CN=CC=C7 T23530
Cl.C1CCc2c(C1)n1CCNCc3cccc2c13 T23531
Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 T23532
ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl T23533
OC(=O)CCC(O)=O.CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1 T23534
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC\C(O)=N\CCN)cc1 T23535
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1 T23537
C1C[C@@H]2CCCCCC[C@H]3CCN4CCC[C@H](CCCCCC[C@H]5CCN(C1)[C@H]2O5)[C@H]4O3 T23538
[Br-].OCC[N+]12CN3CN(CN(C3)C1)C2 T23539
CC(C)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 T23540
CC1=C(C#N)C(OC1(C)c1ccc(Cl)c(Cl)c1)=C(C#N)C#N T23542
FC1=CC=C(C=C1)OC2=CC=C3N=C(C)N(C(C3=C2)=O)C[C@@H]4CN(C(C)C)CCC4.Cl T23543
[H][C@]1(CNCc2cc3c(NC4CCCCCC4)ncnc3s2)CCCO1 T23545
Cl.CN(C1CCCCC1)C(=O)c1sc2nc3ccc(N)cc3n2c1C T23548
Brc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1 T23549
OC(=O)c1ccc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 T2355
Cc1cc(C)c(NC(=O)N(Cc2ccc-3c(Cc4ccccc-34)c2)C2CCCCCC2)c(C)c1 T23550
Cl.COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC T23551
CCOC(=O)c1cc2ccc(O)cc2oc1=O T23552
[H][C@@]1(CC[C@@](N)(C1)C(O)=O)P(O)(O)=O T23553
OC1=NC2=CC=CC=C2/C1=C/C3=CC=C[CH]3.C4=C[CH]C=C4.[Fe] T23554
OS(O)(=O)=O.NC(=N)S\C=C/C(O)=O T23556
Cl.O[C@@H](CNCCOc1ccc(CC(O)=O)cc1)c1ccccc1 T23557
Cl.COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 T23558
COc1ccc(c(C)c1)-n1nc(O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O T23559
O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 T2356
Cl.Cl.CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1 T23560
Cl.CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C T23562
C[C@@](O)(C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1)C(F)(F)F T23563
C=CC(=O)c1ccc2ccccc2c1 T23564
O=C(C1=C(C2CC2)N(C3=C4C(N=CC=C4)=CC=C3)N=C1)/N=C(N)\N.Cl.Cl T23566
[Na+].[NH-]S(=O)(=O)Cc1noc2ccccc12 T23567
O=C1NC(=O)\C(S1)=C\c1ccc2nccc(-c3ccncc3)c2c1 T2357
FC(C1=CC=C(OC(C2=CC=CC=C2)CCNC)C=C1)(F)F.[H]Cl T23570
CNCC(=O)c1ccc(O)c(O)c1 T23571
OC(=O)\C=C/C(O)=O.CN(C)CC[C@H](c1ccc(Cl)cc1)c1ccccn1 T23572
O[C@H](COC1=NSN=C1N2CCOCC2)CNC(C)(C)C T23573
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 T23574
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@]1(CCC(=O)NC1=O)c1ccc(N)cc1 T23576
CC[C@@H](CO)Nc1nc(N(C)c2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 T23577
CC(C)Oc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c2cc(F)ccc2C)cc1 T23578
C[C@H]1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1CC3 T23579
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(\C=C\c2ccccc2)n1 T2358
[H][C@@]12CCC(=O)C[C@@]11CCN(CC3CC3)[C@@H]2Cc2ccc(OS(C)(=O)=O)cc12 T23580
OC1(CC(=O)\C=C\c2ccc3OCOc3c2)C(=O)Nc2ccccc12 T23582
CNC(=O)NNC(=O)c1onc(c1C(=O)OC)-c1c(Cl)cccc1Cl T23583
CC(C)C1=NC(C(NCC2[C@@]3([H])[C@]2([H])CN(CCCOC)C3)=O)=C4N1C=CC=C4 T23584
CCc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O T23585
Cc1c(OCC(F)(F)F)ccnc1CS(=O)(=O)c1nc2ccc(O)cc2[nH]1 T23586
O=C(N1C)N(C)C2=C(N(C)C(/C=C/C3=CC=CC(Cl)=C3)=N2)C1=O T23587
CS(O)(=O)=O.Nc1ncnc2n(cnc12)C1CCCC1 T23588
CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12 T23589
O=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cc2ccccc2s1 T2359
NC(=O)c1ccccc1Nc1cccc(c1)-c1cn(CCC2CCCC2)nn1 T23592
NC(=O)c1ccccc1Nc1ccc(cc1)-c1cn(Cc2ccccc2)nn1 T23593
[H][C@@]12CN[C@]1([H])CN(C2)c1cnc2ccccc2c1 T23594
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2ccccc2)C1 T23595
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 T23596
Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1 T23597
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(F)cc1 T23598
Clc1cc(c(Cl)s1)S(=O)(=O)Nc1ccc(cc1)N1CCCCC1 T23599
OP(O)(O)=O.CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 T2360
ONC(=O)Cc1c[nH]c2ccc(Br)cc12 T23600
Cc1ccc(Nc2nc(N)c(s2)C(=O)c2ccc(cc2)C#N)cc1 T23601
O=C(N1C2=CC=CC=C2OCC1)ON(C3=O)C(N4C3CN(CC5=CC=C(Cl)C=C5)CC4)=O T23602
FC(F)(F)c1cc(Cl)c2[nH]c(=O)c(=O)[nH]c2c1 T23603
CC(=O)OCCCC(O)=O T23605
Nc1ccc(cc1)S(=O)(=O)c1ccc(NCC(O)=O)cc1 T23606
CC(=O)O[C@H]1[C@H]2OC(=O)[C@H](OC(C)=O)[C@H]2OC1=O T23607
COc1ccc2c(C)c(C(C)=O)c(C)nc2c1 T23608
OC[C@H]1O[C@@H](Oc2cc(O)cc3C[C@H](CCc23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O T23609
C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl T2361
C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)C4=C(CC[C@]2(C)[C@@H]13)C[C@]12CC[C@H](O1)C(C)(C)[C@@H]2CC4 T23610
COc1ccccc1CNC(=O)CSc1ccccc1 T23612
COc1c(N2CC[C@H](C2)C(C)(C)N)c(F)cc2c1n(C1CC1)c1s[nH]c(=O)c1c2=O T23613
CC1C2CCC(C)=C3C(C2OC1=O)C(C)=CC3=O T23614
COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1 T23615
CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C=C)ncnc12 T23616
CC(=O)OCOC(=O)c1cscc1Nc1cccc(C)c1Cl T23618
CN(C(C)=O)c1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1 T23619
Cl.CN(C(C)=O)c1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1 T23619L
COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1 T2362
Cl.CC1=C([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 T23620
OC(=O)COc1ccccc1\C=N\NC(=O)c1ccncc1 T23621
Cl.COc1c(N2CCC\C(C2)=C(/F)CN)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 T23622
[H][C@@]12CC[C@]3(O)C[C@H](CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]21O)c1ccc(=O)oc1)OC(=O)C=C(C)C T23623
CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12 T23624
C[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O T23626
COc1ccccc1CC(=O)NC(=C)C(O)=O T23627
CCCCCCCCCCCCCCN[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O T23628
CN(C)Cc1ccccc1Sc1ccc([123I])cc1N T23629
CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1 T2363
Clc1ccc2Sc3ccccc3N(CCCN3CCN(CC3)C3C4CC5CC(C4)CC3C5)c2c1 T23630
O=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 T23631
Clc1ccc(cc1)N1N=NCC1c1ccncc1 T23632
OC[C@H]1O[C@H]([C@H](Cl)[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 T23633
OCC1=CC(C(O)C1O)n1cnc2C(O)CN=CNc12 T23634
Nc1ncnc2n(C=C=CCO)cnc12 T23635
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1ncn(O)c2=N T23636
CC1(C)C(=O)Nc2cc3nc([nH]c3cc12)-c1ccncc1 T23638
CC1(C)SC2C(NC(=O)CCCC(N)C(O)=O)C(=O)N2C1C(O)=O T23639
Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 T2364
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 T23640
Nc1c2CCOc2c(cc1Cl)C(=O)N[C@H]1CN2CCC1CC2 T23641
Nc1c2CCOc2c(cc1Cl)C(=O)NC[C@@H]1CCCN1 T23642
Cl.Nc1c2CCOc2c(cc1Cl)C(=O)NC[C@@H]1CCCN1 T23642L
NC1CCc2cc(O)c(O)cc2C1 T23643
COC1=C(Br)[C@@H](O)[C@](O)(CC#N)C=C1Br T23645
NS(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1 T23646
CCn1c(c(C)c2cc(OC(C)=O)ccc12)-c1ccc(OC(C)=O)cc1 T23647
OC(=O)\C=C\c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 T23648
CC1SC2(CN1C(=O)CCc1c[nH]c3ccccc13)CCN(C)CC2 T23649
N\C(=C1/C(=O)c2ccccc2S1=O)c1ccccc1 T23650
N\C(=C1\Sc2ccccc2C1=O)c1ccccc1 T23651
OC(=O)\C=C/C(O)=O.CC(C)CN(CCCC(O)(c1ccccc1)c1ccccc1)CC(C)C T23652
Cl.OC[C@H]1CNC[C@@H](O)[C@@H]1O T23653
CC(C)=CCC\C(C)=C\COC(Cn1ccnc1)c1ccc(Cl)cc1Cl T23655
[Na+].CCC#CCC(C)C(O)\C=C\C1C(O)CC2O\C(=C/CCCC([O-])=O)C(F)(F)C12 T23657
[H][C@@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@@H](C)CC#CCC)[C@H]1C(F)(F)\C(O2)=C\CCCC(O)=O T23657L
CC(C)(C)NCC(O)COc1cccc2COC(=O)c12 T23658
Cl.Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O T2366
CC1=C(C)C=C2N=CC(C3=CC=C(O)C(O)=C3)=NC2=C1 T23660
COc1cc(cc2OCOc12)[C@@H]1CC(=O)c2c(O)c(OC)c(O)cc2O1 T23661
NC(=N)NN1Cc2c(C1)c(Cl)ccc2Cl T23662
CC1CCC=C(C)C11CCC(C1)C(C)(C)O T23663
C\C(=C/c1cc(cs1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C T23665
O=C1Nc2ccccc2\C1=C\Nc1ccc(cc1)N1CCOCC1 T23666
COc1cccc2CC[C@H](Cc12)NC(C)=O T23668
COc1cccc2CCC(NC(C)=O)C(C)c12 T23669
Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1 T2367
OC(=O)CCC\C=C/C[C@H]1[C@H](CC(=O)[C@@H]1N1CCOCC1)OCc1ccc(cc1)-c1ccccc1 T23670
OCCOc1ccc2oc3ccc(cc3c(=O)c2c1)C(O)=O T23671
CCCCN1C(=O)N(CCCC)C(=O)C(=C(N)N)C1=O T23673
Cl.Clc1ccc(cc1)C1=NCC(=O)N(CCN=C=S)c2ccc(Cl)cc12 T23674
NC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1N T23676
OC(=O)\C=C/C(O)=O.CCN(CC)CCNC(=O)N(CCS(=O)(=O)c1ccccc1)C(C)C T23677
CC1Cn2c3c1cccc3c(nc2=O)-c1ccccc1 T23678
CN1C[C@H](CCN2CCC(CC2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)OC1=O T23680
COc1ccccc1OCC(COS(N)(=O)=O)OS(N)(=O)=O T23681
[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Cl)cc1 T23684
CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C(C)C T23685
Clc1ccc(-c2nc(no2)-c2ccccc2)c(Cl)c1 T23686
CCOC(=O)\C=C(/C)OP(=O)(OCC)OCC T23687
CCOP(=O)(OCCCl)OC=C(Cl)Cl T23688
CCOC(=O)COP(=S)(OCC)OCC T23689
CCOP(C)(=S)Oc1ccc(SCC)cc1 T23690
CCOP(=O)(OCC)SCN1C(=O)c2ccccc2C1=O T23691
CCOP(=S)(OCC)SC1CCOC1=O T23692
Cc1cccc2c(C)n\c(=N\C3=NCN(CCN4CCOCC4)CN3)[nH]c12 T23693
CCN(CCCCN1C2=CC(Cl)=CC=C2OC3=C1C=CC=C3)CC.Cl T23694
Cl.CC(C)(N)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1 T23695
COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 T23696
COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 T23697
C[C@H](NC(=O)[C@@H](CS)Cc1ccc2OCOc2c1)C(=O)OCc1ccccc1 T23698
C[C@H](NC(=O)[C@@H](CS)Cc1ccc2OCOc2c1)C(O)=O T23699
Cl.C[C@H](N)C(=O)OC1CCN(CC1)c1c(F)cc2c3c1CC[C@H](C)n3cc(C(O)=O)c2=O T23700
Cl.C[C@H](N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 T23701
C[C@H](N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 T23702
O.N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)N(CC=C)[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O T23704
Cl.CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1 T23705
CC(C(O)=O)c1ccc(NCC(C)=C)cc1 T23706
Cc1ccc(C)c(c1)-n1cnc2cc(ccc12)C(=O)NCc1ccccc1Cl T23709
CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 T2371
C[C@H]1CN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)C[C@@H](C)N1 T23711
CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 T23713
Cc1nn(c(C)c1NC(=O)CN1CCCC(C1)c1nc2ccccc2s1)-c1ccccc1 T23714
Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1 T23715
FC(F)(F)c1cc(c2ccc(nc2n1)C(C#N)c1cccc(Cl)c1)C(F)(F)F T23716
Cc1cccc(C)c1NC(=O)c1ccc(N)cc1 T23717
CCn1cc(C(O)=O)c(=O)c2ccc(Cc3ccccc3)nc12 T23718
FC(F)(F)c1ccc(c(NCC2CCCCC2)c1)-c1cc(Nc2ccc3ncsc3c2)ncn1 T23721
COc1cc2nncc(-c3cnc(NC(C)C)c(C)c3)c2cc1OC T23722
NC(CCC1C=CC(N)C=C1)C(O)=O T23724
CC(C)CC(NC(=O)C(O)C(O)C(N)CC(N)=O)C1Cc2cccc(O)c2C(=O)O1 T23725
Fc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Cc1ccccc1 T23726
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CC(O)=O)C(O)=O)cnc2n1 T23727
Cl.Cl.NOCCOCCOCCOCCS T23728
Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N T2373
[O-][N+](=O)c1ccc(Nc2ccc(cc2)N=C=S)cc1 T23731
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O T23732
O=C(N1CCN(CCCC(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)CC1)NCC T23733
O=C(N1CCN(CCCC(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)CC1)NCC T23733L
Oc1cc(no1)-c1ccc(o1)P(O)(O)=O T23734
COc1cc2OCOc2cc1-c1coc2c3C=CC(C)(C)Oc3ccc2c1=O T23735
NS(=O)(=O)NCC(F)(F)c1ccccc1F T23736
[H][C@]12C[C@@](O)(C[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CC2)C#C T23737
N[C@@H](CCC(=O)NNc1ccccc1C(O)=O)C(O)=O T23738
CN1c2cc3ccccc3cc2C(=O)N(C)c2c(C)nc(Nc3cnn(c3)C3CCNCC3)nc12 T2374
CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@@H]3N)[C@@H]2O)OC[C@@]1(C)O T23741
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)C=C[C@H]1C T23742
N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O T23744
Cl.Cl.NCCCNCc1ccc(NCCCN)[n+]([O-])c1 T23745
Cl.NCCCNc1ccc(CO)c[n+]1[O-] T23746
O.O.CCCC1C(=O)N2N(C1=O)c1cc(C)ccc1N=C2N(C)C T23747
C1CN1P1(=NP(=NP(=N1)(N1CC1)N1CC1)(N1CC1)N1CC1)N1CC1 T23748
Nc1c(ccc[n+]1COP(O)([O-])=O)-c1cc(Cc2ccc(COc3ccccn3)cc2)no1 T23749
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O T2375
CN(C)CCNc1ccc(NCCN(C)C)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 T23750
C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1Cc1cc(O)cc(O)c21 T23751
CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O T23752
N[C@@H](CCCNC(N)=N)C(N)=O T23754
CCCCCCSC1=C(C)[C@](O)(\C=C\C(\C)=C/C(O)=O)C(C)(C)CC1=O T23756
COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1 T23758
NC(CNC(CN[C@@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O T23759
Clc1cccc(CNC2=Nc3ccccc3NC22CCNCC2)c1 T2376
C[C@@H](COCc1cccc(c1)C(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C T23762
C[N+]1([O-])[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1 T23763
CC(C)(C)OC(=O)N1CC(C1)Nc1nc2ncccc2c(=O)[nH]1 T23764
C[C@@H](CO)Oc1cc(Oc2ccc(cc2)C(=O)N2CCC2)cc(c1)C(=O)Nc1ccn(C)n1 T23765
COc1ccc(cc1OC)-c1ccc2ncnc(Nc3ccc(cc3)-n3cncn3)c2c1 T23766
N#CSCCOc1ccc(Oc2ccccc2)cc1 T23767
COP(=S)(OC)Oc1ccc(cc1)\N=N\c1ccc(Cl)cc1 T23768
Clc1ccc(NC(=O)c2cccnc2)cc1-c1nc2ccccc2[nH]1 T23769
Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2nsnc2c1 T2377
FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl T23771
COc1cc(OC)c(cc1OC)-c1coc2c3C=CC(C)(C)Oc3ccc2c1=O T23773
C[C@@H]1CC[C@]2(C)CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@H]1C T23774
COc1cc(F)ccc1-c1ncnc(Nc2cccc(NS(C)(=O)=O)c2)n1 T23775
Cn1ncc(c(Br)c1=O)S(=O)(=O)Cc1ccccc1 T23776
CC(NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(O)=O T23777
CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccc(Cl)cc1 T23778
COc1cccc(OCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)c1 T23779
CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2 T23780
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 T23781
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 T23782
[Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1 T23783
CN1CCC(CC1)n1[nH]c(c(Cc2ccccc2)c1=O)-c1ccccc1 T23784
Cl.NC1=NCC(CN1)C(O)=O T23787
COc1cc(cc(OC)c1OC)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 T23788
C[C@H](NCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C T23789
N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2ccc(cc2)-n2nccn2)n1 T23790
CCN1C2=CC=CC=C2N(C(NC3[C@@H](N4C)CCC[C@@H]4C3)=O)C1 T23791
CCN(C1=CC=C(N(S(C2=CC=C(C)C(C)=C2)(=O)=O)CC(F)(F)F)C=C1OCC3(C)C)C3=O T23793
CCN(C1=CC=C(N(S(C2=CC=C(C)C(C)=C2)(=O)=O)CC(F)(F)F)C=C1OC3)C3=O T23794
CN1C(=O)N(C(=O)[C@@]1(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 T23796
CC(=O)C(CCC=[N+]=[N-])=[N+]=[N-] T23797
C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1 T2380
Cl.CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N T23800
[Na+].[H]C12CN(C(CC1)C#N)C(=O)N2OS([O-])(=O)=O T23801
Cc1cc(C)c2nc3nc(C)cc(C)c3c(N)c2c1 T23802
Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1 T23803
CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN(C)C T23804
COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@@H](CO)C(C)C T23805
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 T23808
Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O T23809
Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O T23811
CCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 T23814
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 T23815
COC(=O)c1cc(ccc1O)-c1nc(cc2c3ccccc3[nH]c12)C(=O)OCc1ccccc1 T23816
CCCCNc1ncnc2c3cc4ccccc4nc3sc12 T23817
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F T2382
COc1ccc(cc1)\N=c1/nc(CN2CCCCC2)nc(N)[nH]1 T23820
Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1 T23821
NOCc1ccc(Br)c(O)c1 T23822
CC(C)(C)NC[C@H](O)c1cc(Br)no1 T23823
CC(c1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 T23824
[H][C@@]12CCC3=C(CC[C@@]4(C)[C@]5([H])C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C T23825
CNc1ccc(cc1)C(=O)N[C@@H](CCCCCNC(=O)OCc1ccccc1)C(O)=O T23826
CC(C)C(C)NC(=O)\C=C\C=C\Cc1ccc2c(Br)cccc2c1 T23827
CCOc1ncnc2ccccc12 T23828
Cl.Cl.CN1CCN(C[C@H]2[C@H](Sc3ccccc3NC2=O)c2ccccc2)CC1 T23829
Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 T2383
CCCCCCN1CCN(CC1)C(=N/CC(C)C)\c1ccccc1 T23831
CCCCNc1c2CCCCc2nc2ccccc12 T23833
CC(C)=C\C(C)=N\Nc1nncc2ccccc12 T23834
Fc1ccc(cc1F)C(CCNC(=N)NCCCc1c[nH]cn1)c1ccccn1 T23835
CC(C)(C)NC[C@@H](O)COc1ccccc1OC[C@@H]1CCCO1 T23836
N=C(NC(N)=N)NCCCC T23837
CCOC(=O)c1cnc2cc(OCC(C)C)c(OCC(C)C)cc2c1O T23839
Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T2384
C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1 T23840
CNC(=S)NCCCCc1c[nH]cn1 T23841
[H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C T23842
CCCC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 T23843
Cl.CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CC)cc2ccccn12 T23844
C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F T23845
CN(C)CCCCNC1=C(C=CC(Br)=C2)C2=NC3=C(OC)C=CC=C31.[H]Cl.[H]Cl T23846
CC1CCC2C(CC(=O)C=C2C)C11CC(OC1=O)C1=CC(O)OC1=O T23847
[Ca++].CCCCc1ccc(nc1)C([O-])=O.CCCCc1ccc(nc1)C([O-])=O T23848
[O-][N+](=O)c1ccc(NC(=O)c2nnn(c2-c2ccccc2)-c2ccc(cc2)[N+]([O-])=O)cc1 T23849
c1ccc2c(c1)cc(s2)Cc1c(ccc(c1)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)F T2385
CN1CCc2cc3OCOc3cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 T23850
CCCCSc1ccc(cc1)C(SCCN(C)C)c1ccccc1 T23851
CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1 T23852
CCCCCCCc1c(C)c(O)cc2c1[nH]c1ccccc21 T23853
Cl.Cl.CN1CCC2Nc3ccc(C)cc3C2C1 T23854
Cl.CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1 T23855
CCC(Br)(CC)C(=O)NC(N)=O T23857
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NNC(=O)[C@H]2CCNC2)C1=O T23858
O=S(=O)(\C=C\c1ccccc1)N1CCN(CC1)c1ccc2nnc(C3CC3)n2n1 T23859
Cc1ccc(=O)n(c1)-c1ccccc1 T2386
CCCCCCCCCCCC1N[C@@H](CS1)C(O)=O T23860
OC1OC(=O)C(Br)=C1c1cc2ccccc2s1 T23861
CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O T23862
Oc1c2OCOc2ccc1-c1n[nH]cc1-c1cnn(c1)-c1ccccc1 T23863
NC(C1CC1C(O)=O)C(O)=O T23864
CN1N=CC(C2=CC=C(NC3=NC=C4C(C(N[C@H](C(C)(C)C)C)=NC=C4)=N3)C(OC)=C2)=C1 T23865
Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1 T23867
Cc1ccc(cc1)-c1cc(n2nc(C(O)=O)c(Cl)c2n1)C(F)(F)F T23868
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl T23869
[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1 T2387
NC(=O)C#CC(N)=O T23872
Cc1cc(cc(NNc2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)n1)C(F)(F)F T23874
Cc1cc(Br)cc2\C(C(=O)Nc12)=C1\SC(=S)NC1=O T23875
Brc1ccc2N(CCc3ccccc3)C(=O)C3(NN=C(S3)c3ccccc3)c2c1 T23876
CC(C)(C)[C@H](C(=O)Nc1ncc(s1)-c1ccccc1)c1ccc(Cl)cc1 T23877
O[C@@H](CC1)C[C@]2([H])[C@@]1([H])CN3CCC4=C(C=C5OCOC5=C4)[C@]3([H])C2.[H]Cl T23878
CCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl T23881
Nc1nc(N)c2c(Cl)c(CNc3ccc(cc3)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc2n1 T23883
COc1ccccc1N1CCN(CC1)C(=O)c1cc(=O)c2cc(C)cc(C)c2o1 T23887
O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1 T23888
CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC T23889
CCOc1ccc(cc1)Cc1c(ccc(c1)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Cl T2389
CC(C)=C[C@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C T23890
Oc1ccc(Cl)cc1N1C(SCC1=O)c1cccc(Br)c1 T23892
CCOc1cc(CN2N=C(SCC2=O)C(=O)Nc2ccc(F)cc2F)ccc1O T23893
CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(n1)C(N)=O T23894
CC(C)(CCc1nnn[nH]1)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)C(F)(F)F T23896
CC(C)(CO)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 T23897
CCCC(c1ccc(CCCl)cc1)c1c(O)c2ccccc2oc1=O T23898
CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1Cl T23899
O.Cl.Cl.C[C@@H]1O[C@]2(CS1)CN1CCC2CC1.C[C@@H]1O[C@]2(CS1)CN1CCC2CC1 T2390
CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12 T23900
CC(C)CCn1c(CN2CCN(CC2)C(=O)c2ccoc2)nc2n(C)c(=O)n(C)c(=O)c12 T23901
CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCCC1 T23903
Fc1ccc(cc1)N1CCN(CCCCn2c3ccc(cc3oc2=O)N=C=S)CC1 T23904
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 T23905
O=C(C1=C(NC(C23CC4CC(C3)CC(C4)C2)=O)SC(C)=C1CC)OC T23907
CCc1c(C)sc(NC(=O)C2CCCCC2)c1C(=O)OC T23908
[H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C T23909
CS(O)(=O)=O.CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 T2391
OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O T23911
OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 T23912
CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O T23914
Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1 T23915
COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F T23916
Cc1ccc(c(Cl)c1)-c1cnccc1-c1cnc(Nc2ccc(O)cc2)s1 T23917
[H][C@@]12Cc3cc(OC)c(OC)cc3Oc3c(OC)ccc(CCN1C)c23 T23918
C[C@H](CCC=C(C)C)c1ccc(C)cc1O T23919
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccccc1 T23920
COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)C1CC1 T23922
CCC(C(O)=O)C1(O)CCCCC1 T23923
NCCOc1ccccc1\C=C1/c2ccccc2-c2ccc(cc12)[N+]([O-])=O T23925
NC(=O)C1C=CC2=C(CCC=C2)c2ccccc12 T23926
CO[C@H]1CC[C@]2(C)[C@@H](CC[C@@H]3C2=CC[C@]2(C)[C@H]4CC[C@@H](C(C)C)[C@]4(C)CC[C@@]32C)C1(C)C T23927
[O-][N+]1=C(c2ccccc2)c2cc(Cl)ccc2N=C(C1)NCC1CC1 T23928
C1CC1C#C[C@]1(c2c(ccc(c2)Cl)NC(=O)O1)C(F)(F)F T2393
N[C@@H](CS(=O)(O)=O)C(O)=O T23930
CCn1c(cc2c(Cl)cc(O)cc12)-c1c(Cl)cc(O)cc1Cl T23931
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(Cl)c(Cl)c2)cc1OC T23932
COc1ccc(CN2C(=O)C(=O)c3cc(C)ccc23)cc1 T23933
COc1ccccc1-c1ccc2n(CC(C)C)cc(CC(N)=O)c2c1 T23934
CCc1ccccc1NC(=O)CSc1nc2cccnc2[nH]1 T23935
COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12 T23936
Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)C=C3)c2n1 T23937
NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)C=C1 T23938
CC(O)C1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)\C=C\CNS(C)(=O)=O)=C(N2C1=O)C(O)=O T23939
C(CN1CCOCC1)C(CCN1CCOCC1)c1cccc2ccccc12 T23940
C\N=C/Nc1ccc(cc1)-c1c[nH]cn1 T23941
CC(C)(C)N\C=N\c1ccc(cc1)-c1c[nH]cn1 T23942
CN\C=N\c1cccc(c1)-c1csc(NC(N)=N)n1 T23943
Cl.COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN T23944
CNC1=CC(=O)C(=O)c2ccccc12 T23945
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(F)c1)-c1ccc(nc1)-c1nnnn1C T23947
Cl.OC(CN1CCN(CC1)C=N)(C1CCCCC1)c1ccccc1 T23948
Cl.CN(C)CC(=O)N1c2ccccc2Sc2ccccc12 T23949
Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 T2395
NC(=O)c1ccn2[C@H](SCc12)c1cccnc1 T23951
CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@H](CC[C@@H]2N)[C@@H](C)N)[C@@H](O)[C@@H]1N(C)C(=O)CNC=N T23952
COC1=CC(=O)C=C(C)C11Oc2c(cc(OC)cc2O)C1O T23953
CC\C(Br)=C\C[C@H]1O[C@@H](C\C=C\C#C)[C@@H](Cl)C[C@H]1Br T23959
Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 T2395L
OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 T2396
CCc1cccc2c(\C=C(\C)C(O)=O)cc(OC)c(O)c12 T23962
O=C(C1=NNC2=C1C=CC=C2)N[C@H]3CN(CC4=CC=CC(C)=C4)CCN(C)C3.[H]Cl.[H]Cl T23965
C1CN=C(N1)c1ccc(cc1)-c1ccc(o1)-c1nc2ccccc2[nH]1 T23966
O=C(O)C(C)(C)CN1CCN(C2=NC3=CC=CC=C3OC4=CC=CC=C24)CC1 T23967
OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12 T23968
Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN T23969
N#Cc1cc(ccn1)-c1nc(n[nH]1)-c1ccncc1 T2397
Brc1cccc(NC(=O)CCS(=O)(=O)c2ccc3OCC(=O)Nc3c2)c1 T23970
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2cn[nH]c2c1 T23971
CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13 T23972
Nc1cccc(c1)-c1nc2ccc(cc2[nH]1)-c1ccc2nc([nH]c2c1)-c1cccc(N)c1 T23974
C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=Cc5c(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)cnn5-c1ccccc1 T23975
CC(CNC(=O)CCCn1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1)c1ccccc1 T23977
COc1ccc2C(=O)C(Cc3ccc(OC)c(O)c3)COc2c1 T23978
[Na+].OCC1=C(N2C(SC1)C(NC(=O)Cc1cccs1)C2=O)C([O-])=O T23980
Cl.CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 T23982
[H][C@@]12CC(=O)[C@@H](CC(C)(C)O)CN1CCc1cc(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])cc21 T23983
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T23984
OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc(cc1)[N+]([O-])=O T23985
NC(=O)N1CC(C1)Oc1cccc(c1)C(F)(F)F T23986
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1ccc(F)cc1 T23987
OC(=O)CNC(=O)c1ncc(O)cc1O T23988
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O T2399
O[C@@H]([C@@H](O)C(O)=C)C(O)=C T23990
OS(=O)(=O)c1ccc(cc1)[N+]#N T23992
NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1 T23993
c1ccc2c(c1)cc1ccc3cc4ccccc4c4ccc2c1c34 T23994
CC1CN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C T23996
O=C1N2Cc3ccccc3C(=O)N2Cc2ccccc12 T23997
Cl.O=C(OCCN1CCCCC1)C1(CCCCC1)C1CCCCC1 T23998
CCCc1ccccc1OC[C@@H](O)CNC(C)C T23999
CC(C)OC(=O)C(O)C(O)C(=O)OC(C)C T24001
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(C)C T24003
CCN1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 T24004
COc1cc(cc(OC)c1OC)-c1nccc2[nH]c(nc12)-c1cccc2[nH]ccc12 T24005
Cl.C(Cc1nn[nH]n1)N1CCN(CC1)c1ccccc1 T24006
OC(=O)c1ccccc1.Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O T2401
Cc1c(Br)sc2sc(-c3cc[nH]n3)c(C)c12 T24010
[O-][N+](=O)c1cn2C[C@H](COc2n1)Oc1ccc(OC(F)(F)F)cc1 T24011
[H][C@]12Cc3cc4OCOc4cc3-c3c(O)c(OC)cc(CCN1C)c23 T24012
C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 T24013
Fc1ccc(COCC(=O)N2CCN(CC2)c2ccc(F)cc2F)cc1 T24015
Br.Oc1noc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1 T24016
Clc1ccc(cc1)S(=O)(=O)\N=c1/[nH]c2ccccc2nc1Nc1ccc2OCCOc2c1 T24017
OC[C@@H](O)[C@@H](O)[C@@H](O)C1N[C@@H](CS1)C(O)=O T24018
[Na+].CN1c2ccccc2C(NCCCCCCC([O-])=O)c2ccc(Cl)cc2S1(=O)=O T2402
C(SSSCc1ccccc1)c1ccccc1 T24020
CC1(C)CC2(NC(=O)N(CCCN3CCC(O)CC3)C2=O)c2cc(Cl)ccc2O1 T24021
CCc1cccc2c(\C=C(\C)C(O)=O)cc(OC)c(OC(C)=O)c12 T24022
Cc1nc(CCc2c[nH]c(C)n2)c[nH]1 T24024
Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1 T24025
Clc1ccc2Oc3[nH]c(=O)[nH]c(=O)c3C(C3C(=O)NC(=O)NC3=O)c2c1 T24027
Br.CC(C)CC(=O)N1CCN(CC1)C(=O)CCCCCN T24028
OC(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N T24030
CN[C@@H](C)[C@H](OC(=O)CCC(C)=O)c1ccccc1 T24032
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C)Oc1ccccc1)C(O)=O T24033
Br.CN1CCC2(C)CC(Cc3ccc(O)cc23)C1 T24035
ONC(=O)CCCCCNC(=O)c1cccc2cc3ccccc3nc12 T24036
Oc1ccc(O)c(\C=C\NC=O)c1 T24039
CNCc1cn(c(c1)c1ccccc1F)S(=O)(=O)c1cnccc1.C(=C\C(=O)O)/C(=O)O T2404
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T24042
CCCCCCCCCCCCC\C=C\[C@H](O)[C@H](N)CO T24044
CNC1=NC=C2C(N(CC3CCCC3)N=C2C4=CC=C(N5CCN(C)CC5)C=C4)=N1 T24045
[2H]C([2H])([2H])Nc1nc(cs1)-c1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)cn1 T24046
Cl.CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T24047
Cl.CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC T24048
COc1cccc(c1)-c1cc(c(C)cn1)-n1cc(CNCC(C)C)c2ccccc12 T24049
Cl.CC1N(CCc2ccccc12)c1nc(Nc2ccc(F)cc2)nc(C)c1C T2405
COc1cc(OC)c(C(=O)CC(C)=O)c(OC)c1 T24050
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)(=O)=O T24051
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)OCC1C2CCC#CCCC12 T24052
NC(=O)[C@H](CCC\N=C(/N)CF)NC(=O)c1ccccc1 T24054
Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1 T24055
C([C@@H]1CCN=C(N1)c1ccccc1)N1CCN(CC1)c1ccccc1 T24056
Clc1ccc(OCC2=NCCN2)cc1Cl T24059
Cl.Clc1ccc(OCC2=NCCN2)cc1Cl T24059L
C[C@H](c1cccc2ccccc12)NCCCc1cc(ccc1)C(F)(F)F.Cl T2406
CC(C)CC(=O)c1ccc(OC(F)F)c(OC2CCOC2)c1 T24061
COC1=CC(=O)c2c(O)c(CSC[C@H](NC(C)=O)C(O)=O)c(OC)cc2C1=O T24062
CC(C)C(N)C(=O)NC(C1CC(N=C(N)N)C2CN12)C(O)=O T24063
CCC1(Cc2ccc(F)cc2C1)c1c[nH]cn1 T24064
CCOc1ccc2nc(NC(=O)Nc3cccc(OC)c3)sc2c1 T24066
Nc1n[nH]c2cccc(-c3ccc(N)cc3)c12 T24067
CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C T24068
CN(CCCOc1ccc(F)cc1Cl)CC#C T24069
Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C T2407
Fc1ccccc1C1=NCC(=O)N(CC2CC2)c2ccc(Cl)cc12 T24070
C(CN1CCOCC1)Cc1ccc(cc1)\N=N\c1ccccc1 T24071
CC(C)c1cccc(C(C)C)c1F T24074
CC1(C)CC(=O)c2c(N)c(ccc2O1)C(=O)C[C@@H](N)CO T24075
Oc1cc(NC(=O)Nc2ccc3ccccc3c2)cc(c1)-c1cccs1 T24076
c1c(nc2ccc(cn12)-c1ccccc1)-c1ccccc1 T24079
Cl.NC1CC(=CC=C1)C(O)=O T24080
COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC T24083
OC(=O)\C=C\c1nn(Cc2ccc(Cl)cc2Cl)c2cc(ccc12)C(F)(F)F T24084
CCOP(=S)(OCC)SCC(=O)N(CCC#N)c1ccccc1 T24086
CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O T24087
CC(C)C[C@H](NC(=O)c1ccc(NCc2cnc[nH]2)cc1-c1cccc2ccccc12)C(O)=O T24088
CCCCCCCCc1ccc(OCC(=O)c2nc(cs2)C(=O)OC)cc1 T24089
CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)Oc1ccccc1 T2409
COc1cc2CCN(C)C3CC4(C=CC(=O)C=C4)c(c23)c1O T24090
CCOC(C)\C(\C=N\NC(N)=S)=N/NC(N)=S T24091
[Na+].[Na+].NC(CCC([O-])=O)C(=O)NC(Cc1c[nH]c2ccccc12)C([O-])=O T24092
NCCCC[C@H](N)C(O)=O.OC[C@@H](O)COP(O)(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O T24094
CCCc1nc2[nH]c(C)c(NS(=O)(=O)c3ccc(cc3)C3CCCCC3)c(=O)n2n1 T24095
CCc1c(C)c(C#N)c2nc3ccccc3n2c1O T24096
Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c1 T24097
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(NC3CC3)ncc2c1 T24098
N.N.[Pt++].[O-]CC([O-])=O T2410
CC(C)C1=NN2C(C=CC=C2C3=NN=C(C4CCN(CC5CCOCC5)CC4)O3)=C1 T24101
Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1cnnn1 T24102
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](OCP(O)(O)=O)C=C1F T24103
Cl.CCn1c(cc2ccccc12)-c1nc2ccc(cc2n1C)C(=O)N1CCCC(N)C1 T24104
NC(C1=NC=C(C2=CC=C(N(C(C)=O)[C@@H](C3CC3)CN4CC5=CC=CC=C5CO)C4=C2)C=N1)=O T24107
Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O T24108
CNc1cc(Oc2c(Cl)cc(cc2Cl)N(C(N)=O)c2cccc(c2)C(F)(F)F)ncn1 T24109
C1[C@H](S/C(=C(\C#N)/n2ccnc2)/S1)c1c(cc(cc1)Cl)Cl T2411
OCC1=CC=CC=C1CN2C[C@H](C3CC3)N(C(C)=O)C(C2=C4)=CC=C4C5=CCNCC5 T24110
Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1 T24111
Fc1cccc(F)c1C(=O)Nc1ccn(Cc2ccccc2Oc2ccccc2)n1 T24112
On1c2ncccc2c(NCc2cc3ccccc3s2)nc1=O T24113
CC(C)c1noc(n1)N1CCC(CC1)[C@H](C)Oc1cnc(cn1)-c1ccc(cc1)S(C)(=O)=O T24114
CCS(=O)(=O)c1ccc(cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1)S(=O)(=O)NC T24115
CC(C)CC[C@@H](N1CC[C@@H](CC(O)=O)C[C@H]1c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 T24116
CC(C)CNC(=O)\C=C\C=C\CCCCCC\C=C\c1ccc2OCOc2c1 T24117
OC(=O)c1cc(c(NCCc2ccccc2)c(c1)[N+]([O-])=O)[N+]([O-])=O T24118
CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 T24119
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 T24120
O=C(Nc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 T24121
Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1 T24122
CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 T24123
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1 T24124
O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 T24125
CC(C)Oc1ccc(CN2CCC(C2)NS(=O)(=O)c2cc(F)ccc2C)cc1 T24126
CCC(C)Nc1cnc2n(Cc3ccco3)c(C(=O)OC)c(NC(=O)c3ccccc3)c2c1 T24127
CCC(CC)Nc1cnc2n(CCC(C)C)c(C(=O)OC)c(NC(=O)c3ccco3)c2c1 T24128
CCN(CCCNC(=O)c1ccc2nc3CCCCc3c(Cl)c2c1)Cc1ccccc1 T24129
Cc1cc(ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)[N+]([O-])=O T2413
Nc1ccccc1NC(=O)c1ccc(cc1)-c1cn(CCc2ccsc2)nn1 T24131
Nc1ccccc1NC(=O)c1ccc(s1)-c1cn(CCc2cccc(c2)[N+]([O-])=O)nn1 T24132
COc1ccc(cc1OCc1ccccc1)C(=O)NO T24133
CC(C)CNC(=S)Nc1cc(Cl)ccc1C T24134
CCc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(C)=O)o1 T24136
[Na+].CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CCC3(C)CCC12C)C([O-])=O T24137
NC(=O)OC1(CC#C)CCCCC1 T24138
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 T2414
O\N=C(\Cc1ccccc1)C(O)=O T24140
Oc1ccc(\C=N\NC(=O)Nc2cccc3nsnc23)cc1 T24141
Oc1ccc(Cl)cc1C(=O)Nc1ccc2C=CS(=O)(=O)c2c1 T24142
NCCCOc1ccc(Cl)cc1C(=O)Nc1ccc2C=CS(=O)(=O)c2c1 T24143
OCc1cc2c3ccccc3[nH]c2c(CCN[C@@H](Cc2ccccc2)C(O)=O)n1 T24144
CC(C)c1ccc(C)c2c(\C(=N/Cc3ccccn3)N(C)C)c(C)c(C)c2c1C T24145
OC1CCC(=C1)C(O)=O T24146
OC(=O)CNC(=O)c1ncccc1O T24148
OC(=O)CNC(=O)c1nc2ccccc2cc1O T24149
Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 T2415
CCCCN1C(=O)C2Cc3c([nH]c4ccccc34)C(N2C1=O)c1cccc(O)c1 T24150
CCCn1c(NC(=O)[C@H]2CCCN(C2)c2cnccn2)nc2ccccc12 T24151
CN(C)C[C@H]1CC[C@@H](CC1)N1C(=O)NCc2cnc3ccc(cc3c12)-c1cc(Cl)c(O)c(Cl)c1 T24152
N[C@@H](CCCCN)C(O)=O T24153
O=C(NS(=O)(C1=CC=C(C)C=C1C)=O)COC2=CC=C3C=CC=CC3=C2 T24154
Cc1ccc(OC(C)(C)C2OCC(C\C=C\CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O T24157
COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1 T24158
C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=C(C=CC(=C3)Cl)Cl T24159
CN(Cc1cc(NC(c2ccccc2)=C3C(Nc4c3ccc(C(N(C)C)=O)c4)=O)ccc1)C T2416
CCCCCNC1=C(C(=O)N(C)C1=O)c1cn(C)c2ccccc12 T24160
COc1cc(O)cc2oc(=O)c(N3CCN(C)CC3)c(C)c12 T24161
Cc1[nH]cnc1CSCCNC(=N)NCCCc1c[nH]cn1 T24162
CC1CN(Cc2ncccn2)CC1c1cn2c(ncc2c(=O)[nH]1)C1CCOCC1 T24163
CCC(N)C1(O)Cc2ccccc2C1 T24164
CC(C)NCC(O)COc1cccc2CC=Cc12 T24165
C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1 T24166
CC1(C)Oc2cc(O)ccc2C2C1=CCn1n2c(=O)n(-c2ccccc2)c1=O T24167
Clc1ccc(NC(=S)NC(NC(=O)\C=C\c2ccccc2)C(Cl)(Cl)Cl)cc1 T2417
Cc1c(I)c(=O)n(-c2ccccc2)n1C T24170
CN(CCCOc1c(Cl)cc(Cl)cc1I)CC#C T24171
COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl T24172
Ic1c[nH]c(=S)[nH]c1=O T24173
FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1 T24174
CC1CC2OC(=O)C(=C)C2CC=C1C(CC(C)=O)OC(C)=O T24175
CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1 T24176
Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 T24178
CC(C)n1c(=O)[nH]c(C)c(Br)c1=O T24179
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C T2418
CO[C@@]1(CN(C1=O)S(O)(=O)=O)N([C@@H](C)C(N)=O)C(=O)CC[C@@H](N)C(O)=O T24180
Cl.CC(CN1c2ccccc2Sc2cccnc12)N(C)C T24181
O=C(NCCCn1ccnc1)c1cc(on1)-c1cccs1 T24182
CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O T24184
COc1cccc(c1)-c1cc2n3C(=S)N(CCCN4CCOCC4)C(=O)c3cc2s1 T24185
COc1ccc(Cc2cc(cc(c2OC)C(C)(C)C)C(C)(C)C)cc1 T24186
[H][C@@]12CC[C@](O)(C#C)[C@@]1(CC)CC[C@]1([H])c3ccc(OS(=O)(=O)N(C)C)cc3CC[C@@]21[H] T24187
Nc1ncc(-c2ccncc2)c(n1)C1CC1 T24189
Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl T2419
CCCCCCCC\C=C/[C@H]1CCC(=O)O1 T24194
C[C@@H]1C[C@@]23OC(CC(C)(C)\C=C/C(=O)/C(C)=C\C2=C1)=C(C)C3=O T24195
COc1cc(O)c2C(=O)C(C)=C(CC(C)=O)C(=O)c2c1O T24196
CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc1c(O)ccc2cccc(O)c12 T24197
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1 T2420
C[C@@]12[C@@H](C3=CC4=C(C=C3)C=CN=C4)CC[C@@]1([H])[C@]5([H])CC=C6C[C@@H](N(C)C)CC[C@]6(C)C5CC2 T24200
CN1CCN(CC1)C(=O)C[C@H]1N(C(=O)c2cc3CCCc3cc12)c1ccccc1 T24201
[Cl-].C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 T24205
C[C@]1(CC(=NN1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F T24206
CN1CCC(CC1)C(=N\O)\c1cc2cc(C)ccc2[nH]1 T24207
CC(c1nc(N)nc(N2CC[C@H](C2)N)c1)C.Cl.Cl T24208
Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 T24209
COc1cc2ncnc(Sc3nnc(C)s3)c2cc1OC T2421
O=C(O)[C@@H](CC(C)C)C1=CC(C2=CC=C(C(F)(F)F)C=C2)=CC(C3=CC=C(C(F)(F)F)C=C3)=C1 T24210
[H][C@]12CCCN1C[C@@H](c1ccc(cc1)C#C)c1ccccc21 T24211
Oc1cc2ccccc2cc1C(=O)Nc1ccc(cc1)C#N T24212
CCOC(=O)C(\C#N)=C(/N)c1ccccc1 T24214
CCOC(=O)N1CCN(CC1)[N+](\[O-])=N\Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T24215
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c(OC)c(c1)N(C)C T24216
Br.CC(N)Cc1ccc(C)c(C)c1 T24217
CCCCCNc1c2CN(CCc3ccc(O)cc3)C(=O)c2ccc1OC T24218
Cl.Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 T2422
COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C T24220
COc1ccc2ccc3C(=O)NC4(CCN(Cc5ccc(cc5)C#N)CC4)Oc3c2c1 T24221
CS(O)(=O)=O.NC[C@H]1Cc2c(C3=C(C(=O)NC3=O)c3ccccc3)c3ccccc3n2C1 T24224
COCc1c(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O[C@H]2OC[C@@](O)(CO)[C@@H]2O)cnc(C)c1O T24226
CCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12 T24228
C=CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 T24229
Cc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12 T24230
COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12 T24231
CCCCCn1cc(C(=O)Cc2ccccc2Br)c2ccccc12 T24232
CCCCCn1cc(C(=O)c2cccc3cccc(Br)c23)c2ccccc12 T24233
CC(C)n1ncc2c(cc(nc12)-c1cccs1)C(=O)Nc1ccccn1 T24234
COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O T24235
COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O T24237
CC\C(Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(O)=O)=C\C T24238
Cl.COc1ccc2SCCN(Cc2c1)C(=O)CCN1CCC(Cc2ccccc2)CC1 T24239
CC(=O)c1cc(c(Sc2c(F)cc(F)cc2)s1)[N+](=O)[O-] T2424
CC(C)c1ccc(\C=C2\C(C)=C(CCc3nnn[nH]3)c3cc(F)ccc23)cc1 T24240
CC1(C)[C@@H](\C=C2/CCSC2=O)[C@H]1C(=O)OCc1coc(Cc2ccccc2)c1 T24241
N[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO T24243
O=C([C@H]1C(C)(C)[C@H]1/C=C(Cl)/C(F)(F)F)OCC2=C(C)C(C3=CC=CC=C3)=CC=C2 T24244
CCCC1OC1(C)c1cc(=O)c2c(CC(O)=O)cc3cc4C(CCC(=O)c4c(O)c3c2o1)OC(C)=O T24245
CCC1OC1(C)c1cc(=O)c2c(CC(O)=O)cc3cc4C(CCC(=O)c4c(O)c3c2o1)OC(C)=O T24246
O=C(O)C(CC)[C@H]1CC[C@H](C)[C@H](/C(CC)=C/C=C/C2[C@@H](C(C3=CC=CN3)=O)[C@]4([H])CCC[C@@]4([H])C=C2)O1 T24247
CCn1c(C)cc(=O)c(C(O)=O)c1-c1ccc(Cl)cc1 T24248
CCCC(C)C(NC1=CC=C(Cl)C(Cl)=C1)=O T24249
COc1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)OC(C)C)n1 T2425
CCCSc1cc(Oc2ccc(cc2)[N+]([O-])=O)ccc1Cl T24252
OC(=O)\C=C\C(O)=O.CCCCCOc1nc(nc2ccccc12)N1CCN(CC=C)CC1 T24255
CCCSP(=O)(OCC)OC1CC(F)(F)C1(F)Cl T24256
COc1ccc(C2=NNC(=O)CC2C)c2cc(nn12)C(F)(F)F T24257
C[C@@H]1O[C@@H](C=CC1=O)[C@@H]1CCCC=C1C T24258
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T24259
Cc1csc(NC23CC4CC(CC(C4)C2)C3)n1 T24261
COc1cc2OC(CCc2cc1O)C(=O)Nc1ccccc1 T24262
FC(F)(F)Oc1ccc(cc1)-c1cnn(n1)C(=O)N(CCc1ccccc1)C1CCCCC1 T24263
[H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)c1ccccc1 T24264
COc1ccc2cc(\C=C\c3ccc(cc3)N(C)C)oc2c1 T24265
[O-][N+](=O)c1ccc(NNC(=S)Nc2ccc(F)cc2)c(c1)[N+]([O-])=O T24267
Nc1ncc(C#Cc2ccc(Cl)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 T24268
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/c2nnco2)n1 T24269
CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12 T2427
Oc1ccc(\C=C\C(=O)NCCc2ccccc2)cc1O T24270
CC(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F T24271
O[C@H](Cc1c[nH]c2ccccc12)C(=O)Cc1ccccc1 T24273
COc1nc(NCCc2c[nH]c3ccccc23)nc(Nc2ccc3[nH]ncc3c2)n1 T24274
COc1cccc(c1)-c1nc2-c3ccccc3CCn2n1 T24275
CCOc1cccc(c1)-c1nc2-c3ccccc3CCn2n1 T24276
Cn1c(cnc1C(C)(C)O)[N+]([O-])=O T24277
COc1cc(\C=C\C(=O)NCCn2c(cc3ccccc23)C(F)(F)F)cc(OC)c1OC T2428
[H][C@@]12[C@@H](C[C@@H](CO)C=C1C=C[C@@H](C)[C@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC T24280
CCCC1Nc2c(nccc2C)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T24281
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 T24282
CCN(CC)CCC(=O)Nc1c(C)cccc1C T24283
CN1c2ccccc2C(=NC(NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 T24287
CC(C)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C1=O)c1ccccc1 T24293
CC(CCCc1ccccc1)NCC(O)c1ccc(N)nc1 T24295
OCc1ccc2C=Cc3ccccc3S(=O)(=O)c2c1 T24296
[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2Nc1cc[n+](Cc2ccccc2)cc1)C([O-])=O T24297
OC(=O)c1ccc2C=Cc3cc(F)ccc3S(=O)c2c1 T24298
CCC[C@@]12Cc3cc(OCC(O)=O)c(Cl)c(Cl)c3C1=CC(=O)CC2 T24299
OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1 T2430
CC(C)(C)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O T24300
Cc1cc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)c(C)c1 T24301
CN1CC(=O)N(COC(=O)c2ccc3C=Cc4ccccc4C(=C4CCN(C)CC4)c3c2)C1=O T24302
[H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]1([H])[C@H](C[C@@H](C)C2)OC(=O)C(C)(C)CC T24303
CCCc1c(O)c(ccc1OCCCS(=O)(=O)c1ccc(cc1)C(=O)CCC(O)=O)C(C)=O T24304
COCCC1=C(C)\C(=C/c2ccc(cc2)S(N)(=O)=O)c2ccc(OC)cc12 T24305
OCc1ccccc1\C=C\Cc1cc2OCCc2cc1O T24306
Oc1c(sc2ccc(cc12)C(F)(F)F)C(=O)N\C=C(\c1cccs1)c1ccccc1 T24307
CN(C1CC23CCCCC2=CN2C=CCCC2=C3O1)S(=O)(=O)CCO T24308
CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O T24309
COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)cc12 T2431
OC(=O)CC1CCCC2C1N(Cc1ccc(Cl)cc1)c1ccc(F)cc21 T24310
[H][C@@]12[C@@H](OC)C(=O)N1C(C(=O)N1CCC[C@H]1C(O)=O)=C(COC(C)=O)CS2(=O)=O T24311
CCCOc1c(OC)cc(cc1S(C)(=O)=O)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1 T24314
COc1cc(cc(OC)c1OC)[C@@H]1CC[C@H](O1)c1cc(OC)c(OCC=C)c(c1)N=[N+]=[N-] T24315
Cl.CN(C)Cc1cc(ccc1O)S(=O)(=O)c1ccc(s1)S(N)(=O)=O T24316
CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 T24317
CC(C)(C)NC[C@H](O)c1ccc(N)nc1 T24318
[O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 T2432
COC(=O)\C=C(/C)\C=C(/C)CC(C)CCCC[C@@H]1OC(=O)[C@H]1CO T24320
[H][C@]12[C@H](CC(C)=CC1=CC(=O)[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC T24323
Cc1noc(n1)C1CN2CCC1C2 T24324
Oc1cc2CC(CCc3ccccc3)Oc2cc1CCCOc1ccccc1 T24325
CC1CCC2C(C)(C)C(O)CCC2(C)C11Cc2c(O1)cc(CO)c(C=O)c2O T24326
OC(=O)CSC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1 T24327
CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(CC(O)=O)cc2)C(CC)(CC)C1=O)c1ccc(C)cc1 T24328
NC(=N)NCC(O)CC(NCCN[C@@H](CC(O)=O)C(O)=O)C(O)=O T24329
O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1 T2433
CCCC(NC(=O)N1C(Oc2ccc(cc2)C(O)=O)C(C)(C)C1=O)C(=O)c1cccc(C)c1 T24332
C1CC1c1noc(n1)C1CN2CCC1C2 T24333
C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1 T24334
Cl.CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)CC(=O)c2c1 T24339
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCNCC1 T2434
CCC(N)C(=O)NC(=O)[C@H](CC(C)(C)c1ccccc1)N([C@@H](C)C(O)=O)c1ccccc1 T24344
CCc1cc(CNc2cc(CC)c(C)[nH]c2=O)c(OC)nc1C T24346
OC(=O)C[C@@H](CCc1c[nH]c2ccccc12)NC(=O)CNC(=O)CCCC1CCNCC1 T24347
[O-][Cl](=O)(=O)=O.CC(=O)CSc1n[n+]2c(C)csc2s1 T24349
CCC(C)C(CN[C@@H]([C@@H](C)CC)C(=O)NC1CCOC1=O)NCC(N)CS T24350
CCC(C)C(CN[C@@H]([C@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O)NCC(N)CS T24351
C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O T24352
O=C1Nc2ccccc2[C@@](N1)(C#Cc1ccccn1)C1CC1 T24354
Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 T24358
CCCOc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O T2436
COc1ccc2n(C(=O)c3c(Cl)cc(Cl)cc3Cl)c(C)c(CC(O)=O)c2c1 T24360
OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C T24363
Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 T24366
Clc1ccc(cc1)-n1nc-2c(CCS(=O)c3ccccc-23)cc1=O T24367
CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 T24368
CCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1 T2437
CCCN[C@H]1C[C@H](CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O T24373
Cl.CCCN[C@H]1C[C@H](CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O T24373L
OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 T24374
[H][C@@]12C[C@@H](C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)C[C@@]2([H])N(C)C(=O)CC[C@]12C)Oc1ccc(Cl)cc1 T24376
CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(Br)ccc4OC)ccc1c23 T24379
COc1ccc(cc1)S(=O)(=O)N(C(C)=O)c1ccccc1\C=C\c1cc[n+]([O-])cc1 T2438
Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12 T24381
FC(F)(F)c1nnnn1-c1ccc(OC[18F])c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1 T24383
C[C@H](OC(C)=O)[C@@H]1O[C@H](C[C@H]1N1C(=O)c2ccccc2C1=O)n1cc(C)c(=O)[nH]c1=O T24385
CC(C)NCC(O)COc1ccccc1CC=C T24386
N[C@@H](CSC[C@H](N)C(O)=O)C(O)=O T24387
COc1ccc(\C=N\N(C)C(=O)c2ccccc2)cc1OC T24388
COc1ccc(\C=N\N(C)C(=O)c2ccc(OC)c(OC)c2)cc1OC T24389
COc1ccc(COc2ccc(CC#N)cc2)cc1 T2439
Sc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1 T24390
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC(=O)N(CCCl)N=O)C=O T24392
Nc1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c(-c2ccc(O)cc2)c1C#N T24394
COc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccc(Sc2ccccc2)cc1 T24395
Cl.Cl.COc1ccc2nc3ccc(Cl)cc3c(SCCCN)c2c1 T24396
OC(=O)[C@@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)C(O)=O)C1=O T24397
N(\N=C\c1c[nH]c2ccccc12)c1cccc2cccnc12 T24398
Cl.Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=O)c1ccc(F)cc1 T24399
COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1 T2440
OC[C@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O T24401
Nc1nc2NCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)N(C=O)c2c(=O)[nH]1 T24403
CC1=NOC2=CC=C(C3=NC4=CC=C(N5[C@@H](C)COCC5)C=C4N3CC6CCCCC6)C=C12 T24404
C1OC(O[C@@H]1[C@H]1CCCCN1)(c1ccccc1)c1ccccc1 T24405
Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2[18F])c(=O)nc1N T24406
Cc1cc(ccc1OCC(=O)C(C)(C)C)C1(CCCCC1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 T24407
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[14CH]=O T24408
C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 T24409
COc1ccc(cc1)C(=C1C(=O)Nc2ccccc12)c1ccc(OC)cc1 T2441
CC1=CNC2=NC=NC(N3C[C@H](C)N(/C(NC4=CC=CC(Br)=C4)=N\C#N)CC3)=C21 T24410
O=S(C1=CC(Br)=CC=C1OC)(NC2=C(OC)C=C(N3)C(OC(C)(C)C3=O)=C2)=O T24411
CC(C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)C(N)CO T24412
Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F T24413
Cl.CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1 T24414
Clc1ccc(cc1)-c1nc2c3ccccc3ccn2n1 T24415
COc1cc(CCC(=O)CCCCc2ccccc2)ccc1O T24417
CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc1nccs1 T24418
COC(=O)c1oc2c(sc3ccccc23)c1OC(=O)C(C)C T24419
Cc1nnc2C(CC(N)=O)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 T2442
CCCCCNCc1ccc(Oc2ccc(cc2)C(N)=O)cc1 T24420
O=C(O)C(C)(C)CN1CCN(C2=NC3=CC=CC=C3OC4=CC=CC=C24)CC1 T24421
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cccc2C)cc1 T24422
NS(=O)(=O)c1cccc2C(=O)C(Nc3cccnc3)=CC(=O)c12 T24423
CC(C)(C)\N=C(/NC(=O)c1ccc(cc1)C(F)(F)F)Nc1cc([nH]n1)-c1ccc(F)cc1 T24424
CCCCCCCCCCCCCCCCNC(=O)C(N)CCCCN T24425
NCCCC[C@H](N)C(O)=O.Cc1c(Cl)cccc1Nc1ncccc1C(O)=O T24426
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(O)=O T24427
CC1(C)[C@H]2[C@@H](C)[C@H](NCC3=C(C4CC4)C=CN3)C[C@@H]1C2 T24428
CC(C)CC(=O)\C=C(\C)CCC\C(C)=C\CC\C(C)=C\Cn1cnc2n(C)cnc(=O)c12 T24429
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F T2443
Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1 T24430
OC(=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)c2nc3cc(Cl)ccc3[nH]2)s1 T24432
Cn1c2cnccc2c2c(Br)c(O)c(Br)cc12 T24433
CN1\C(=C/c2c(Nc3ccccc3)c(=O)c2=O)C(C)(C)c2ccccc12 T24434
CNC(=S)C1(CCC1)C(=O)c1ccc(cc1)-n1ccnc1 T24435
C(CN1CCCC1)Oc1ccc(Nc2ncc(s2)-c2ccccc2)cc1 T24438
CC(C)(C)c1ccc(cn1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 T24439
O=CN1CC\C(=C\c2ccc3OCOc3c2)C1=O T2444
COc1ccc(\C=C2\C(O)=Nc3ccccc23)c(OC)c1 T24440
COC(=O)C(=C)C#N T24442
CN1N=C(CCC1=O)C(N)=O T24443
CN(C)CC(Oc1ccccc1)Oc1ccccc1 T24444
N[C@@H](CC1=CC=C(O)C(O)=C1)C(OC)=O T24445
O.Cl.CC(C)(CCn1c2ccccc2[nH]c1=O)NCC(O)COc1cccc2ccccc12 T24448
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 T24449
OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O T2445
Cc1ccccc1OCC1CNC(=O)O1 T24450
CN(C)CCN(CC1=CC=C(OC)C=C1)C2=NC=CC=C2 T24451
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OS(C)(=O)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC T24452
N[C@@H](Cc1cccc(c1)N(CCCl)CCCl)C(O)=O T24453
O=C1N(C)C2=C(C=CC=C2)/C1=N/NC(N)=S T24455
COC(C)=N T24458
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1SC T24459
COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC T2446
CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(N)=O)c2c1 T24460
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12 T24461
CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1 T24462
CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1 T24464
Cl.CCCCCNCC(N)=O T24465
OC(=O)c1cn(Cc2ccc(cc2)C(=O)c2ccccc2)c2ccccc2c1=O T24469
CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 T2447
COc1cc(COc2ccc3[nH]cc(CC(O)=O)c3c2)cc(OC)c1 T24470
NC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 T24471
N[C@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 T24472
C[C@H](NC(=O)[C@@H](CSC(=O)c1ccccc1)[C@@H](C)c1ccccc1)C(O)=O T24473
Cc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1 T24477
Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1 T2448
Cl.Cc1cc(nc2ccccc12)N1CCCCC1 T24481
COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1 T24482
Cc1cc(c(C)n1-c1ccc(C)cc1)-c1nnc2CCCCCn12 T24483
O[C@](C1CCN(CCCOc2ccc(cc2)C#N)CC1)(c1cccc(F)c1)c1ccccn1 T24484
Cc1ccc(Cl)cc1NC(=O)c1cc(on1)-c1cccc(O)c1 T24485
Cc1ccc(CSc2ncn(n2)-c2ccccc2)cc1 T24487
Clc1ccc(cc1)-c1nnc(o1)C1CCCCC1 T24488
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCCOc2c1 T2449
COc1cccc(\C=C\c2nc(=O)c3ccccc3o2)c1OC T24490
CN(N=O)C1=C(NC2CCCCC2)C(=O)c2ccccc2C1=O T24491
CCCCCCCC\C=C\CCCCCCCC(=O)OCC(O)CO T24493
Cl.NC(=N)SCc1ccc(Cl)cc1 T24494
COc1cc(cc(OC)c1OC)C(=O)c1ccc2n(C)ccc2c1 T24496
O=C(C1=CC(C2=CC=C(C(N)=O)C=C2)=CC(N3C=C(N=N3)C4=CC=C(C=C4)C(F)(F)F)=C1)O T24499
Cc1nn(c(C)c1\C=N\N1CCN(Cc2ccccc2)CC1)-c1ccccc1 T2450
CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1 T24500
CC1N(C(C)=O)C2=C(C=CC=C2)CC1 T24501
CC(C)N(C(C)C)C(=O)c1cc(nc2ccccc12)-c1ccccc1 T24502
CC1=C(C(NC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1 T24503
COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1OCCN T24504
Cc1ccsc1-c1nc(cs1)-c1ccc(O)c(O)c1 T24505
Nc1c(Br)c(nc2c(cnn12)-c1cnn(c1)C(F)(F)F)[C@@H]1CCCNC1 T24506
C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O T24507
[Cl-].C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O T24508
Oc1c(Br)cc(\C=N\NC(=O)CNc2ccc3ccccc3c2)c(O)c1Br T2451
CN(C)C1=NN=C(C2=CC(C=CC=C3)=C3C=C2)C(C4=CC=NC=C4)=C1.Cl T24510
CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O T24511
CN(C)CCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O T24513
CCC\C(C)=C\C=C(/C)\C(\O)=C1/C(=O)OC(=CC1=O)[C@H](C)CC\C=C\NC(=O)OC T24514
NCCOCCN(CCOCCOCC#C)CCOCCOCC#C T24516
CC(C)C(CCN(C)C)(C(N)=O)c1cccc2ccccc12 T24518
Cl.CC(Oc1cccc2ccccc12)C(=N)NO T24519
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O T2452
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1 T24520
Cc1nc(sc1CO)C(NC(=O)C(=O)Nc1ccc(Cl)cc1)C1CCCCN1 T24521
Cc1nc(sc1CCO)C(NC(=O)C(=O)Nc1ccc(Cl)cc1)C1CCCCN1 T24522
COc1ccccc1N1CCN(CCCCNC(=O)C2C3CC4CC(C3)CC2C4)CC1 T24523
CN(CC(O)=O)NC(=O)C[C@H](N)C[C@@H](O)CN T24525
COC(=O)[C@]1(C)C[C@@H]2[C@@]3(C)CC[C@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C)C(=O)[C@H]1O T24527
COC(=O)[C@]1(C)C[C@H]2[C@](C)(C[C@H]1O)CC(C)=C1C3=CC=C4C(C)=C(O)C(=O)C=C4[C@@]3(C)CC[C@@]21C T24528
COc1ccc2[nH]cc(CCNC(=O)CC(=O)CCc3ccc(O)cc3)c2c1 T24529
CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 T2453
COC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F T24530
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)[N+]([O-])=O T24531
[N-]=[N+]=NC(=O)c1cccnc1 T24533
[H][C@@]12CC(OC(=O)[C@H]1C[C@@H](O)C=C(C)C)[C@]1(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]21C T24534
CC(Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(O)c2n1 T24535
[O-][N+](=O)c1cccc2C(=O)N(C(=O)c12)c1ccc2[nH]c(=S)sc2c1 T24536
CN1CCN(CC1)c1ccc2ccccc2n1 T24537
CC(=O)N[C@@H](CSSC[C@@H](N)C(O)=O)C(O)=O T24538
Cc1cc(CCNCc2ccc3c(C)cc(N)nc3c2)ccc1C#N T24539
OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 T2454
COC(=O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1 T24540
O=C(C1=C2C=CC=C1)C(Cl)=C(NC(C)=O)C2=O T24542
COc1cc(OC)cc(c1)-c1ccc2\C(=C\c3[nH]c(C)c(CCC(O)=O)c3C)C(O)=Nc2c1 T24543
COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nn[nH]n1)C1=NN(C(C)C)C(=O)C1(C)C T24545
COc1ccccc1S(=O)(=O)\C=C\c1ccccc1Cl T24546
CCn1c2ccc(Cl)c(Cl)c2n(CC)c1=O T24547
[H][C@@]12CC[C@H](C(=O)Cn3cnc4c(S)ncnc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T24549
O=C(\C=C\c1ccc2ccccc2n1)c1ccncc1 T2455
NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 T24550
[K+].[O-][N+](=O)c1ccc2c3nonc3cc(c2c1)S([O-])(=O)=O T24551
CSC(=S)NNC(=O)c1ccncc1 T24552
CN(C)c1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)c(C)c1 T24553
[O-][N+](=O)c1ccc(\C=C2/SC(=S)N(\C=C3/C(=O)Oc4ccccc4C3=O)C2=O)cc1 T24554
Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1n[nH]c(Nc2ccc(Cl)cc2)n1 T24555
OCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 T24556
COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c1ccccc1 T24557
Nc1ccc-2c(Cc3cc(Cl)c(Cl)cc-23)c1 T24558
CC1CN(CCO1)c1cc(=O)c2ccc3ccccc3c2o1 T24559
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC T2456
OCCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccc(Cl)cc1 T24560
CCCN1C(=O)c2ccccc2C1(OCc1cc(OC)c(O)c(OC)c1)c1ccc(Cl)cc1 T24561
CCn1c(nc2cc(NC(=O)COC)cc(C(=O)NCc3ccccc3)c12)-c1cccnc1 T24562
CN1CCN(CCCOc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)CC1 T24564
CS(O)(=O)=O.CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 T24565
CCCCCCC(C)(C)c1cc(O)c(C2CCC(CC2)c2ccccc2)c(O)c1 T24566
OC(=O)CCCCCCCOc1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1 T24567
COC(C(=O)N\N=C\c1cc(OC)c(Br)c(OC)c1)c1ccc(cc1)-n1cccn1 T24568
OCc1cn(Cc2cccc(Cl)c2)c2ccccc12 T24569
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 T2457
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C)C(O)=O)c2)c(OC)c1 T24570
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCCN)C(O)=O T24571
C\C1=C/CCC2=C[C@@H](C\C(C)=C\[C@@H]3OC(=O)C(=C)[C@H]3CC1)OC2=O T24573
Cl.Cl.Fc1ccccc1CNCc1ccc(cc1)-c1ccnc2[nH]ccc12 T24574
OC(=O)\C=C\C(O)=O.CC\C(N(C)C)=C1\c2oc3ccccc3c2COc2ccccc12 T24575
CC(=O)Oc1cc(cc(c1)-c1c(C)noc1C)C(O)c1ccccc1 T24576
O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 T24577
Cl.COc1cccc(c1)C(=O)CCNC(C)C(O)c1ccccc1 T24579
Oc1ccc2oc3c(CCCNC3=O)c2c1 T2458
COc1ccc(cc1)-c1[nH]c(=O)[nH]c1-c1ccc(OC)cc1 T24580
Cl.CCCCNC(C(=O)c1ccc(OC)cc1)c1ccccc1 T24581
CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCO T24582
CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 T24583
O=C(C1=CN=C(N[C@H]2[C@@H](N)CCCC2)N=C1NC3=CC=CC(N4N=CC=N4)=C3)N.CC(O)=O T24584
O=C(NCCc1c[nH]cn1)C1CN(C(=O)C1)c1n[nH]c2ccccc12 T24585
OC(=O)\C=C/C(O)=O.CONC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(=N)NOC T24587
CC(C)n1nc(-c2cccc(Cl)c2Cl)c(=N)nc1N T24588
CN1CCC(CC1)c1c[nH]c2ccc(O)cc12 T2459
CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O T24591
Nc1ccc(cc1)[As]1SCCCS1 T24593
NCC(O)=O.C[C@H](N)C(O)=O.N[C@@H](CCC(O)=O)C(O)=O T24594
[Na+].Cc1ccc(Cl)c(CN(CCC([O-])=O)Cc2cccc(Sc3ccccc3)c2)c1 T24599
CC(C)NCCC(=O)c1ccc2ccccc2c1 T2460
Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O T24602
OS(O)(=O)=O.NC(=N)NCCCOc1ccccc1 T24603
CN(C)CCCNCCc1c[nH]c2ccccc12 T24604
COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl T24605
O=c1n(-c2ccccc2)c(=S)[nH]c2ccccc12 T24606
CCCCCCCCCCNc1ccc(O)cc1 T24607
Cc1cn([C@H]2C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O T24609
COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC T2461
Oc1c(Cl)cc(Cl)cc1-c1[nH]c(Cl)c(Cl)c1Cl T24612
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)nc2N1 T24613
Cl.CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12 T24614
COc1ccc2c(NC(C)Cc3cc(C)[nH]n3)ncnc2c1OC T24615
CNc1nc(Cc2ccccc2)cc2CCNCCc12 T24616
N[C@H]1Cc2ccccc2N(O)C1=O T24617
COc1cc2c3[nH]c4cc(ccc4c3cnc2cc1OCCCN1CCN(C)CC1)C#N T24618
COCCOCCOc1cc2ncc3c4ccc(cc4[nH]c3c2cc1OC)C#N T24619
Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2OCOc2c1)C(C)(C)C T2462
OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 T24622
O=C(NC(C1=NN(C)N=C1)C)C2=CC(S(=O)(NC3=CC=C(Cl)C=C3)=O)=C(OC)C=C2 T24623
O=C1NC(C)=NN2C1=C(CO)N=C2C3=C(C4=CC=C(C(F)(F)F)C=C4)N(C)N=C3C T24624
CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 T24625
COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C T24626
C(c1ccccc1)c1ncc2CCNCCc2n1 T24627
[H][C@]12OC[C@@H](Oc3nc4cc(c(Cl)cc4[nH]3)-c3ccc(cc3)C3(CO)CC3)[C@@]1([H])OC[C@H]2O T24628
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 T2463
[K+].CC(Oc1ccccc1)C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O T24630
Cl.CC(Cc1ccccc1)NN T24631
[H][C@]12CC[C@@]34C[C@](O)(C=O)[C@@](O)(C3)[C@@H](O)C(=O)[C@@]4(O)[C@]1(C)CCCC2(C)C T24633
CNC(=O)c1ccccc1Nc1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1 T24634
CCCCC\C=C\C=C\C=C\C(O)C(C)C(C\C=C\C1OC(=O)C=CC1O)OS(O)(=O)=O T24636
O=C1NC(=O)C(=C\C=C\c2cccs2)C(=O)N1 T24637
COc1cccc2c1[nH]c1c(CCn3ccc4c5ccccc5n5c4c3cc(=O)c5=O)ncc(OC)c21 T24638
Cc1[nH]c2ccccc2c1\C=N\Nc1ncnc2sc3CCCCc3c12 T24639
C\C(=N/NC(=S)N1CCC1)c1ccccn1 T2464
NC(=S)C(=C\C=C\c1ccc(o1)-c1cc(Cl)ccc1Cl)\C#N T24640
Cl.O=C1CCCCC1CN1CCCCC1 T24641
Oc1ccc(CC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1 T24642
COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 T24644
Cl.CCN1CCC(C1C)=C1c2ccccc2CCc2ccccc12 T24645
O=S(=O)(N1CCCc2ccccc12)c1ccc(cc1)-c1cnc(o1)C1CC1 T24646
Cc1[nH]c2ccccc2c1-c1ccnc(NCCc2c[nH]c3ccccc23)n1 T24647
CCCC(=O)C1CCN(CC1)c1ncnc2CCN(Cc12)C(=O)c1ccc(cc1)-c1ccccc1 T24648
CC(C)=CCC\C(C)=C\CSCCS(F)(=O)=O T24650
CC(C)=CCC\C(C)=C\CC\C(C)=C\CSCCS(F)(=O)=O T24651
OC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1C(F)(F)F T24652
N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(CO)c(=O)[nH]c1=O)C(O)=O T24653
C(Cc1c[nH]nn1)Cc1ccccc1 T24654
COc1cc2ncnc(N3CCC(C3)Oc3cnc4ccccc4n3)c2cc1OC T24656
CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(OC)c3)cc2)ccn1 T24657
O=C1NC(=O)C(CC2CCCCN2)(C(=O)N1)c1ccccc1 T24658
CC(O)C(O)=O.CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 T24659
NCC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F T2466
ClCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Br)cn3)sc2c1 T24660
CCN1CCC(C1)=C(c1ccccc1)c1ccccc1 T24661
Cl.O=C([C@@H]1CCc2[nH]cnc2C1)N1CCc2ccccc12 T24662
CN(c1ccc(Cl)cc1)c1nc(=O)c2cccnc2s1 T24663
CCCOP(=O)(OCCC)Oc1ccc(SC)cc1 T24664
BrCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C T24665
CNCCOCCOCC#C T24667
O=C(COCCOCCOCCOCC#C)ON1C(=O)CCC1=O T24668
CCCn1c(=O)n(C)c2ncn(C)c2c1=O T24669
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC T2467
CC(Cc1ccc2OCOc2c1)NCC(O)c1ccc(O)c(O)c1 T24670
CCC(c1noc(CCN(CC)CC)n1)c1ccccc1 T24671
C\C(=N/N=c1\[nH]c(c(s1)-c1ccccc1)-c1ccccc1)c1cccc(c1)N(CCO)CCO T24672
C[C@@H](N)C(=O)N[C@@H](CO)[C@H](O)[C@@H](N)C=O T24673
Cl.Cl.C[C@@H](N)C(=O)N[C@@H](CO)[C@H](O)[C@@H](N)C=O T24673L
COc1ccc(cc1)C(Nc1ccc(cc1)C(F)(F)F)c1c(C)[nH]c2ccccc12 T24675
OC(=O)\C=C(/CCc1ccc(Cl)cc1)c1ccccc1 T24677
Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl T24678
Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F T24679
Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 T2468
Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 T24680
CC(=C)c1cc2c(o1)c1c(C)cccc1oc2=O T24683
COc1cc(Cc2nc3c(N)ncnc3n2C\C=C\C)cc(OC)c1OC T24684
COc1cc(Cc2nc3c(N)nc(F)nc3n2CC2CCCO2)cc(OC)c1OC T24685
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3Cl)nc12 T24686
Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1 T24687
C\C(=N/NC1=NCCN1)c1ccc(NC(=O)c2cc3cccc([N+]([O-])=O)c3[nH]2)cc1 T24688
COC(=O)c1ccc(cc1)C1N(CCc2c(C)[nH]c3ccccc23)C(=O)C(O)=C1C(C)=O T24689
CN(C)[C@H]1[C@@H]2CC=CC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)c2c(OCc3ccccc3)noc12 T2469
Cl.CCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C T24690
C[C@H](NC1=CC=CC(F)=C1F)C(NC2=CC=C(OC(C3=CC=C(C#N)C=C3)=N4)C4=C2)=O T24691
O=C1C=C(Nc2ccc(cc2)-c2ccccc2)C(=O)c2cncnc12 T24693
[I-].Cc1coc(\C=C\Nc2ccccc2)[n+]1C T24694
CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc12 T24695
Cl.Cl.[H][C@@]12CCCN(CCC)[C@@]1([H])Cc1cn[nH]c1C2 T24696
Cl.Cl.C[C@@H](N)Cc1c[nH]cn1 T24698
COc1ccc2N=C3NNC(C)=C3N=C(c3ccccc3Cl)c2c1 T24699
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O T2470
C(CN1COc2cc3OCOc3cc2C1)OC12CC3CC(CC(C3)C1)C2 T24700
Oc1ccc(cc1F)C(=O)OCc1cccc(COC(=O)c2ccc(O)c(F)c2)c1 T24701
CCOC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)Nc1cc(O)c(OC)cc1O T24704
Cc1cc(O)c2C(=O)C=CC(=O)c2c1 T24705
CCCCC(=O)N1C(C2=C(CCCC2=O)Nc2ccccc12)c1ccccc1Cl T24706
CCCc1n[nH]c2OC(N)=C(C#N)C(c12)c1cc(Cl)cc(Cl)c1O T24707
CC(C)Oc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(C(C)C)c2C)cc1 T24708
Br.Oc1ccc(cc1O)C(=O)CSC1=NCCS1 T24709
Fc1c(Cl)cccc1C(=O)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1 T2471
COc1ccn(C)c(=O)c1C#N T24711
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 T24712
C\C(=N/N=c1/[nH]c(c(s1)-c1ccccc1)-c1ccccc1)c1ccc(cc1)N(CCO)CCO T24713
OC12OC(=O)CC1CCCC2c1ccccc1 T24714
O=c1n2CCCCCc2nc2ccccc12 T24715
Cl.Cl.CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1 T24716
Cl.C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 T24717
N[C@@H]1C[C@H]1C1CCCCC1 T24718
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(C1CCC1)C1CCC1 T24721
Clc1ccc(cc1)[C@H]1CNC[C@@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl T24722
CN(C)CCSc1cc(ccc1NC(=O)NCc1ccccc1)-c1cn[nH]c1 T24723
CN(C)CCN(C)c1cc(ccc1NC(=O)NCc1ccccc1)-c1cn[nH]c1 T24724
CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 T24725
CCCCCCC1CCCC1CCCCCCC(O)=O T24728
CN(C)c1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3nc(=O)[nH]c(=O)c3nc2cc1C T24729
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F T2473
[Br-].C(c1ccccc1)[N+]12CN3CN(CN(C3)C1)C2 T24730
CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(=O)OC T24732
CCCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1 T24734
Cl.Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl T24736
C[C@@H](NC(=O)[C@H]1C[C@@H]1c1nc2ccccc2[nH]1)c1cnc(OCC(F)(F)F)cn1 T24738
CCc1nc(Nc2cccc(O)c2)nc(Nc2cccc(O)c2)n1 T24739
ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1 T24740
Clc1ccc2nc(NS(=O)(=O)c3csc4ccccc34)sc2c1 T24741
CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 T24742
O=C(C1=NC2=CC(C(C)(C)C)=NN2C(C3=CC=C(F)C=C3)=C1)N(CCN(C)C)CC4=CC=CC=C4 T24743
COc1cc(O)c(C(=O)\C=C\c2cc(OC)c(OC)cc2OC)c(OC)c1 T24744
CCc1nn2c(nc(cc2=O)N2CCNCC2)s1 T24745
NCC(=O)Nc1cc(ccn1)-c1nn2c(nc(cc2=O)N2CCNCC2)s1 T24746
NCc1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1 T24747
CS(O)(=O)=O.CN1CCCc2cccc(OCC3CNCCO3)c12 T24748
C[C@@H]1CN(C[C@@H](O1)C)c1nc2c(ccc(n2)c2cc(c(cc2)OC)CO)c(n1)N1CCOCC1 T2475
Cc1oc2ccccc2c1CNC(=O)NCc1cccs1 T24750
O\C(=C/C(=O)c1ccc(Cc2ccc(F)cc2)o1)c1ncn[nH]1 T24752
CC(=O)N[C@@H](CSC(=O)c1ccccc1O)C(O)=O T24755
CC(=O)c1ccccc1C(=S)NCCC(N)=O T24756
CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@H](OC)[C@@H]([C@H]2O)N(C)C(=O)CN)O1 T24757
FC(F)(F)C(OC(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F T24758
C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c1cn[nH]c1 T2476
COc1ccc(cc1)C(=C(CCC(O)=O)C#N)c1ccc(OC)cc1 T24760
Cn1c(ncc1[N+]([O-])=O)N1CCN(C1=O)S(C)(=O)=O T24761
Cl.Cl.Cl.Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 T24762
O=C(CCc1ccccc1)Nc1ccc(cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 T24764
Clc1csc(n1)-c1ccccc1NC(=O)OCCC1CCCCN1 T24765
CC(C)CC(=O)c1ccc(OCCCCOc2ccc3ccc(=O)oc3c2)c(C)c1O T24766
CC(C)CC(=O)c1ccc(OCCCCOc2ccc(CCC(O)=O)c(O)c2)c(C)c1O T24767
NC1=N\C(C(=O)N1)=C1\CCNC(=O)c2[nH]c3ccccc3c12 T24768
COc1ccc(cc1)-c1coc2cc3oc(=O)c(CCC(O)=O)c(C)c3cc12 T24769
CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(C1=O)c23 T2477
C/N=C1N=C(C2=CC=CC=C2)N(C3=CC=CC=C3)S/1.[H]Br T24770
COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(nc12)C(F)(F)F T24772
COc1ccc2nc3[nH]nc(C)c3c(Cl)c2c1 T24773
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H](CC=O)[C@H]2C=C)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O T24776
CN(CCn1cccn1)C(=O)c1ccc(nc1)-c1cccc(c1)C(=O)NC1CCCCC1 T24778
CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1 T24779
COCC(=O)N1CCN(CC1)C(=O)[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccc(OC)cc3c2=O)CC1 T24780
O=c1c2sc3c(c2c(=O)c2ccccc12)c(=O)c1ccccc1c3=O T24781
CCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O T24782
S=C=NCC(c1ccccc1)c1ccccc1 T24784
COC(=O)[C@@H](N)CSC\C=C(/C)CC\C=C(/C)CCC=C(C)C T24785
CC(=O)OCCNC(=O)c1cccnc1 T24786
[H][C@@]12CC[C@H]([C@H](C)CCC(C)(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T24787
Oc1ccc(cc1)-c1cc2cccnc2[nH]1 T24789
CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C T2479
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1 T24790
Oc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccc2OCOc2c1 T24792
OC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1O T24793
CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O T24794
Cl.CC(N)CCc1ccccc1Cl T24797
CN(C)c1ccc(cc1)C(=O)NCc1ccc(\C=C\C(=O)NO)cc1 T24798
Cc1cc2sc(N)nc2c2ccccc12 T24799
COc1cc(OC)c2c(c1)[nH]c(nc2=O)-c1cc(C)c(OCCO)c(C)c1 T2480
Oc1cc2CCN(CC=C)C[C@@H](c3ccccc3)c2cc1O T24801
Cc1cccc(c1)C1CN(CC=C)CCc2c(Cl)c(O)c(O)cc12 T24802
CCCCCCCCCCCCCCCC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C T24803
[I-].Cc1ccc(CS(=O)(=O)CC[N+](C)(C)C)cc1 T24805
C1CN2CN1CN1CCN(C1)C2 T24806
CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O T24807
Clc1cc(Br)ccc1N\C=C\C(=O)c1ccccc1 T24808
CC(=O)N[C@@H](CSN=O)C(O)=O T24810
N#Cc1ccc2ncnc(NCCc3ccc4ccccc4c3)c2c1 T24811
OCCN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F T24812
Cl.CN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F T24813
OS(=O)(=O)CCN1C(=S)S\C(=C\c2ccc(o2)-c2cccc(Cl)c2)C1=O T24814
CC(O)=O.CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 T24815
FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F T24816
OC(=O)C[C@H](NC(=O)CP(O)(O)=O)C(O)=O T24818
O=C(N[C@@H](CO)CS(CSC)=O)/C=C/C1=C(C)NC(NC1=O)=O T24819
NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 T2482
C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 T24820
CC(=O)c1ccc2OC3(CC3)C(=O)c2c1 T24821
NC(CO)(CCc1ccc(Sc2cccc(O)c2)cc1Cl)COP(O)(O)=O T24822
COc1ccc2nccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)c2c1 T24827
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1 T24828
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 T2483
Cc1cncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1 T24830
Fc1ccc2n(C3CCN(CC4CCCCCCC4)CC3)c(nc2c1)[C@@H]1CCNC1 T24831
COc1cc(\C=C2\C(=N)N3N=C(SC3=NC2=O)C(F)(F)F)ccc1O T24832
Cc1cc(C)nc(NC(=N)Nc2ccccc2C(F)(F)F)n1 T24833
OC\C(=C/C(=O)c1ccccc1)c1ccccc1 T24834
CCN(CC)c1ccc2nc3c(c\c(=N\c4ccncc4)c4ccccc34)oc2c1 T24835
OC[C@H]1O[C@@H](Oc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O T24836
Cc1ccccc1-c1noc(n1)-c1cccc(c1)C(O)=O T24837
COC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F T2484
Cc1cc(C)n2nc(OCCOc3ccc(Cl)cc3)nc2n1 T24840
OS(=O)(=O)C1CC(=O)N(OC(=O)c2cccc(c2)N2C(=O)C=CC2=O)C1=O T24841
O=C(O[N]1(S(=O)(O)=O)C(CCC1=O)=O)CI T24842
N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 T24843
Cl.Cl.NC(N)=NCCCCCCCCCCN=C(N)N T24844
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 T24845
CCOC(=O)c1c(COc2ccccc2)oc2ccc(O)cc12 T24846
CC(C)c1ccc(OC(C)C(=O)Nc2nonc2-c2ccccc2)cc1 T24847
CCCN1C\C(=C/c2ccc(F)cc2)C(=O)\C(C1)=C\c1ccc(F)cc1 T24848
CCCN1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1 T24849
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1[nH]cnc2nccc12 T2485
CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1 T24850
Cl.CN(C)CCn1nc(Cc2ccccc2)c2ccccc2c1=O T24851
CCNCCc1c(CSC)cnc(C)c1O T24852
Oc1cc(CSc2ccccc2)nc(S)n1 T24853
Clc1ccc(NC(=O)c2ccccn2)c(Cl)c1 T24854
Cl.COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCC(C)CC1 T24855
CC(C)(C)OC(=O)NOCCOCCOCCOCC#C T24856
COC(=O)c1c(N)sc2CC(CCc12)C(C)(C)C T24857
O=C(c1ccccc1)c1ccc2[nH]c(nc2c1)-c1cscn1 T24858
O=C(O)/C=C/C1=CC=CC(/C=C/C(O)=O)=C1 T24859
Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(O)c1 T24860
CCOC(=O)C1=C(C)N\C(=C\c2cc(C)n(c2C)-c2ccccc2C(F)(F)F)C1=O T24862
C(C1CC1)N1CC2CN(CC3CC3)CC(C1)C21CCCC1 T24863
CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S\C(=C/c2ccc(OCC(O)=O)c(OC)c2)C1=O T24864
[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)C(C)(C)CC T24865
C1Oc2ccc(cc2O1)-c1cnc(o1)-c1cccnc1 T24868
COc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O T24869
CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 T2487
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1 T24870
FC(F)(F)c1cccc(COC(=O)[C@@H]2CCC(=O)O2)c1 T24871
O=S(=O)(C1CCNCC1)c1ccc(Nc2ncc(\C=C\c3cccc4[nH]ccc34)cn2)cc1 T24872
Cc1ccccc1Oc1cccc2c1[nH]c(cc2=O)N1CCOCC1 T24873
Cc1cc(F)ccc1Oc1cccc2c1[nH]c(cc2=O)N1CCOCC1 T24874
CNc1cc(nc(N)n1)-c1ccccc1 T24875
CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(C)=O)c1O T24877
O=C1N(C2=CC=CC=C2CC)C(NC3=C1C=CC=C3)=S T24879
CCCCCCCCC(=O)c1ccc(O)c(O)c1O T24880
[I-].C[N+]1(CCC(O)(c2cccs2)c2ccccc2)CCOCC1 T24882
C[C@@H]1C[C@@H]2[C@@](C)(CC[C@@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@@]4(C)CC[C@@]23C)[C@H](O)C1=O T24883
C[C@@H]1C[C@@H]2[C@@](C)(CC[C@@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@@]4(C)CC[C@@]23C)CC1=O T24884
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 T24885
NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 T24886
CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1 T24887
[H][C@@]12CC[C@](O)(C(=O)CSC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T24888
ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 T2489
CC(=O)OC(c1ccc(OC(C)=O)cc1)c1c2ccccc2cc2ccccc12 T24890
Cn1ccc(n1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 T24891
CCCC1(C)COB(OC1)c1ccc(C)cc1 T24892
CN(C(=S)Oc1ccc2C3CCC(C3)c2c1)c1cccc(C)c1 T24893
Cc1cc(Cl)ccc1Cn1nc(C(O)=O)c2ccccc12 T24894
Cc1csc(n1)-c1nc[nH]c1-c1ccc2ncsc2c1 T24897
CN(C)CCOc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 T24898
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 T2490
[K+].Cln1c(=O)[n-]c(=O)n(Cl)c1=O T24900
C[C@]1(Cc2cncnc2)C(=O)N(c2nc[nH]n2)c2ccc(cc12)-c1ccc(F)c(Cl)c1 T24902
CC(C)OC(=O)c1ccc(cc1)N1C(=O)C(Cl)=C(Cl)C1=O T24904
CCOC(=O)N1CCC(CC1)NC(=S)Nc1cc(Cl)cc(Cl)c1 T24905
N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O T24907
NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N T24908
NC(\C(=C\c1cc(O)c(O)c(O)c1)C#N)=C(C#N)C#N T24909
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12 T2491
O=C(N)/C(C#N)=C/C1=CC=C(O)C(O)=C1 T24910
Nc1[nH]nc(\C(=C\c2c[nH]c3ccccc23)C#N)c1C#N T24911
Nc1[nH]nc(\C(=C\c2ccc(O)c(O)c2)C#N)c1C#N T24912
OC(=O)c1ccc2cc(I)c3ccccc3c2c1 T24914
OC(=O)c1cc2cc(ccc2c(Br)c1O)-c1ccccc1 T24915
CC(C)CCCc1cc2ccc(cc2c2ccccc12)C(O)=O T24916
CC(C)CCCc1ccc2cc(ccc2c1)C(O)=O T24917
OC(=O)c1ccc2cc(C3CC3)c3ccccc3c2c1 T24918
Cc1c(C(O)=O)c(=O)oc2ccc(Br)cc12 T24919
CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1 T2492
Cl.NC(=N)NC(=O)c1nc(Cl)c(NCC(=O)OCc2ccccc2)nc1N T24920
COc1cc(ccc1-c1nc2cnccn2c1NC1CCCCC1)-c1c(C)noc1C T24922
OC(=O)\C=C/C(O)=O.CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 T24925
O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1 T24926
CCCCCCCCCCCc1ccc(\C=c2/[nH]\c(cc2OC)=C2\C=CC=N2)[nH]1 T24927
Clc1cc(NC(=O)COc2ccccc2)ccc1N1CCN(CC1)C(=O)c1cccs1 T24928
CCCCCCCCCNC(=O)CC(=O)c1ccccc1 T24929
OC(=O)C(\S)=C\c1c[nH]c2ccc(F)cc12 T2493
CC(C)CC(=O)C1C(=O)c2ccccc2C1=O T24930
O[C@H]1C[C@H](OCc2ccc(cc2)-c2ccccc2)[C@H](CC\C=C/CCC(O)=O)[C@H]1N1CCCCC1 T24931
O=C(C1CCCCC1)N1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 T24933
OC1CCCCC1N1CCC(CC1)c1ccccc1 T24934
C\C(Nc1ccc(O)cc1)=C\C(=O)c1cccnc1 T24935
CC[C@H](C)N(C[C@H](O)c1cccn1Cc1ccccc1Cl)[C@@H](C)CC T24936
CCCCC(O)(C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC)C=C T24938
OC(=O)C(F)(F)F.CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCN T24939
Cc1ccc(cc1)-c1c(Cl)ncn1-c1ccc(cn1)S(C)(=O)=O T24940
NCCN[C@H]1CC[C@H](CC(=O)NC2Cc3cccc(C(O)=O)c3OB2O)CC1 T24942
C1CN(CCO1)c1nc(cs1)-c1ccccc1 T24943
Brc1ncn(c1Br)-c1csc(n1)N1CCOCC1 T24944
[H][C@]12C(=O)N(C(=O)[C@@]1([H])C2(C)C)c1ccc(NC(=O)c2ccccn2)cc1Cl T24945
COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl T24946
Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 T24947
CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)Nc1cccc(OC)c1 T24948
Nc1nc(OCc2cc(Br)cs2)c2nc[nH]c2n1 T2495
CN1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O T24950
CN1CCN(CC1)c1nc(NCc2cccs2)c2cc(Cl)ccc2n1 T24951
Cc1c(cccc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1)C(O)=O T24952
CN(C)C1=NN=C(C2=CC(C=CC=C3)=C3C=C2)C(C4=CC=NC=C4)=C1.Cl T24953
COc1ccc(N(Cc2cccc(Br)c2)C(=O)CCCCCC(=O)NO)c(OC)c1 T24954
CC(C)NC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 T24955
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C\C=C\C[18F] T24956
O=C(O)C(N)CCONC(N)=N T24957
CC(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc12 T24958
CN1C[C@H](C2=CC=CC=C2)C3=CC(O)=CC=C3CC1 T24959
Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 T2496
Clc1ccc2nc3c4cccc5cccc(c45)c(=O)n3c2c1 T24960
Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T24961
Nc1nc(=O)c2nc(CN(C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T24962
CC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T24963
Nc1nc(=O)c2nc(CSc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T24964
Nc1nc(=O)c2nc(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T24965
Nc1nc(N)c2nc(CCOc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T24966
Nc1nc(=O)c2nc(CCOc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T24967
CC[C@@]1(O)C[C@H](OC2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1 T24968
Cc1c2NC(=O)\C(=N/O)c2ccc1Cl T24969
Cl.Cc1cccc(n1)C#Cc1ccccc1 T2497
O[C@H]1CO[C@@](O)(C1)[C@@](O)(Cc1cn(C=C)c2ccccc12)C(O)=O T24970
Nc1ccc(cc1)C(=O)Nc1ccc(O)c(c1)-c1nc2ccccc2o1 T24971
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cnc2n1 T24972
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(I)c(O)cc3CC[C@@]21[H] T24973
N[C@@H](Cc1c[nH]c(I)n1)C(O)=O T24974
[Na+].[Na+].CSc1nc(N)c2ncn(C3OC(COP([O-])([O-])=O)C(O)C3O)c2n1 T24975
Nc1nc(N)c2nc(CNc3ccc(cc3F)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T24976
CC(C)Oc1ccc(cc1)C(O)=O T24977
Nc1nc(N)c2cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T24978
Nc1nc(=O)c2cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T24979
NNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 T2498
Nc1nc(=O)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(N)[nH]1 T24980
Nc1nc(=O)c2N[C@@H](CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2[nH]1 T24981
Cl.CNC(=N)NCCC[C@H](N)C(O)=O T24982
Nc1nc(=O)c2cc(NCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T24983
Oc1ccc2c(NC(=S)NC(=O)c3ccco3)cccc2c1 T24984
Oc1ccc(cc1)C1CC(=O)c2c(O)c(\C=C\c3ccccc3)c(O)cc2O1 T24987
Cc1c(C)c(=O)oc2c(C)c(ccc12)C#C T24988
Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1 T24990
Nc1nc(=O)c2nc(CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1 T24991
Cl.NC(=N)SCc1ccc(Cl)c(Cl)c1 T24994
[H][C@]12CC[C@]3(C)[C@@H]4CC[C@@]3(C)C1=CC[C@@]1([H])[C@@](C)(COC(=O)\C(C)=C/[C@H](O)C[C@H]4C)[C@@H](CC[C@]21C)OC T24996
[I-].CC[n+]1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)sc2ccccc12 T24998
CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O T24999
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 T2500
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@@]4(CC=C32)C(O)=O)C1(C)C T25000
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NCCCc1ccc(OC)c(O)c1 T25004
CCC1SC2(CCN(C)CC2)NC1=O T25005
COC(=O)[C@H](CCCCN)NC(=O)CNC(C)=O T25007
NC(=S)Nc1ccccc1-c1ccccc1 T25008
CCC(N)C(=O)N(CC)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 T25009
CC(C)OC(=O)C1=C(C)NC(C)=C(C1c1ccccn1)C(=O)OCCc1ccc(C)cc1 T25010
FCCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 T25012
CCC(=O)\C=C(/O)c1c(CC(O)=O)cc2C(=O)c3cccc(O)c3C(=O)c2c1O T25013
Fc1ccc(cc1)-c1noc(NC(=O)Cc2c(F)cccc2Cl)c1-c1ccncn1 T25015
CCC1=Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c2[C@H](C1)O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 T25016
CN(C)CC(C)(C)CNc1nn2c(nnc2cc1C1CCC1)-c1ccccc1 T25017
COC(=O)[C@]12CO[C@]34[C@@H]5C[C@H]1\C(CN5CC[C@]23c1cc(O)ccc1N4C)=C/C T25018
COc1cc(F)cc2c1-c1c(cc(F)cc1OC)C21NC(=O)NC1=O T25019
Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1 T2502
OCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(cc3)N3CCOCC3)c2c1 T25020
C[C@H](N)C(=O)N[C@@H](C)P(O)(O)=O T25021
C[C@H](N)C(=O)OC(=O)[C@@H](N)[C@H]1C[C@@H](O)N(O)C1=O T25022
Cc1c(CCO)sc[n+]1CCCCCCCCCCCC[n+]1csc(CCO)c1C T25026
CO[C@H]1\C=C/[C@@](C)(O)\C=C/C(=O)O[C@H](C)[C@@H](C)CC\C=C1\C T25027
CC(C)\C=c1\[nH]c(=O)\c(=C/c2ccccc2)[nH]c1=O T25028
Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 T2503
CC(C)CC1NC(=S)N(CC=C)C1=O T25031
CCOC(=O)[C@@H]1CSC(N1C(=O)C#C)c1ccccc1 T25032
CN1CCC(CC1)=C1c2ncc(C(O)=O)n2CCc2ccccc12 T25033
NCCCC[C@H](N)C(O)=O.OC(=O)Cc1ccc(OCC=C)c(Cl)c1 T25035
[Na+].[O-]C(=O)Cc1ccc(OCC=C)c(Cl)c1 T25036
CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O T2504
NP(=O)(OCCC=O)N(CCCl)CCCl T25040
Br.CCCN(CCC)C1Cc2cccc3cc(O)cc(C1)c23 T25042
Cl.NC(CC=C)Cc1ccccc1 T25044
NCCc1ccccc1CC=C T25047
[H][C@]12C[C@H]3OC(C)(O[C@@]3(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)c1ccccc1 T25048
CC(C)=CC1C(C(=O)OC2CC(C)=C(CC=C)C2=O)C1(C)C T25049
Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1 T2505
NC(CC=C)C(O)=O T25052
NC(CC1=CC=C(O)C(O)=C1)(C)C(O)=O T25054
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(O)c1 T25055
CNS(=O)(=O)c1cc(C(=O)NCC2CCCN2CC=C)c(OC)cc1N T25057
Clc1ccc(cc1)[C@@]1(Cn2cncn2)O[C@@H]1c1ccc(Cl)cc1Cl T25058
CN1CCN(CC1)C(=O)N(CCCCCCC(=O)NO)c1ccc(cc1)-c1ccc2cnn(C)c2c1 T25059
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 T2506
COC1=CC(=O)N(C1)C(=O)[C@H]1CSC(=N1)[C@H](CO)NC(=O)c1csc(\C=N\O)n1 T25060
O.CC(C)C[C@H](NC(=O)C1OC1C(O)=O)C(=O)NCCCC[C@H](N)C(O)=O T25068
Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1 T25069
[H][C@@]12CC[C@@]([H])(O)[C@@]([H])(O)[C@]11CCN2Cc2cc3OCOc3cc12 T25070
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C(Cl)=C[C@@]21[H] T25071
CC1(C)S[C@@H]2[C@H](NC(=O)C34CC5CC(CC(N)(C5)C3)C4)C(=O)N2[C@H]1C(O)=O T25072
Nc1ccc(cc1)C(=O)N1CC2CC(CN(Cc3ccccc3)C2)C1 T25074
CO[C@@H]1C[C@H]2N3C[C@@H](O)[C@]2(C=C1)c1cc2OCOc2c(OC)c1C3 T25075
CCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3CCCNc3c12 T25076
Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 T25078
Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO T2508
CN(C)CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H](O)CO T25080
Cl.CN(C)CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H](O)CO T25080L
C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc12 T25081
Cl.CC(N)Cc1ccccc1 T25082
Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)cc1 T25083
Cc1ccccc1Sc1ccc(\C=C2\SC(=S)NC2=O)cc1[N+]([O-])=O T25084
C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO T25086
COc1ccc(cc1)C(=O)c1ccc2C(CCn12)C(O)=O T25088
COc1ccccc1N1CCN(CCCC(O)c2ccc(F)cc2)CC1 T25089
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 T2509
C1C(N=C2SC=CN12)c1ccccc1 T25090
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O T25091
Oc1ccc2c(O)c3ccccc3cc2c1O T25093
CN[C@@H](C(C)C)C(=O)N([C@@H](Cc1ccccc1)C(N)=O)[C@@H](Cc1ccc(O)cc1)P(O)(O)=O T25094
[Na+].[Na+].[O-]C(=O)Cc1ccccc1.NC(=O)CCC(NC(=O)Cc1ccccc1)C([O-])=O T25099
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O T2510
CNC(=O)[C@]1(CCCCS1=O)Sc1cccnc1 T25102
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 T25104
CC(=O)O[C@H]1C=COC=C2C[C@@]34SS[C@]5(CC6=COC=C[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@H]12 T25106
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O T25107
NA T25109
CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O T2511
OS(=O)(=O)c1ccccc1.C(Oc1cccc2C=CCc12)[C@@H]1CNCCO1 T25110
Fc1cccc(F)c1CNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl T25111
CCOC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)N(CCCl)CCCl)NC(C)=O)C(C)C T25113
CC(C)C12CCC(C)(OO1)C=C2 T25114
O=C1N2[C@@H](Cc3c[nH]c4ccccc34)C(=O)N=c3ccccc3=C2Nc2ccccc12 T25116
CC(O)(C(N)=O)c1ccccc1 T25117
COP(=O)(NC(=O)OC(C)C)OC T25119
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 T2512
NCCO\C=C\[C@H](N)C(O)=O T25120
CN(C(=O)CNC(=O)[C@@H](N)CCCCN)c1ccc(Cl)cc1C(=O)c1ccccc1 T25121
Cc1cc(Nc2cc(C)nc(n2)N2CCC[C@H]2c2cc(no2)-c2ccccn2)n[nH]1 T25123
CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1 T25124
CCN(CC)CCCC(C)Nc1nc(C)cc(NCCc2c[nH]c3ccccc23)n1 T25125
Clc1ccc(c(Cl)c1)C1(Cn2cncn2)OCCO1 T25126
Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 T25127
CN(C)CC(N)C(O)=O T25128
NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F T2513
CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1ncc(=O)[nH]c1=O T25130
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)sc12 T25131
OCCSSCCN=[N+]=[N-] T25132
O=C([O-])[C@H](CCC(C=[N+]=[N-])=O)NC([C@H](CCC(C=[N+]=[N-])=O)NC(CC[C@@H](C(O)=O)N)=O)=O.[Na+] T25135
C[C@H](N)C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O T25137
CC(C)=CC1C(C(=O)OCc2cc3OCOc3cc2Cl)C1(C)C T25138
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 T2514
ONC(=O)C(=C/c1ccccc1)\C(=O)NCc1ccc(F)cc1 T25141
ONC(=O)C[C@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1 T25142
CC(NNC(=O)c1ccccc1)c1ccccc1 T25144
Nc1ncnc2cc3n(cnc3cc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T25145
N[C@@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O T25146
CC(C)=NNc1nc(cs1)-c1ccc(Cl)cc1 T25149
Oc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)\C=C\c1nc2ccccc2[nH]1 T25150
COc1ccc(C[C@H](C)[C@]23C[C@H](CC=C)C(=O)C=C2OCO3)cc1OC T25152
CCOCc1cc(ccc1O)C(O)CNC(C)(C)C T25153
O=C1C(Nc2cc[nH]n2)=C\C(=N/c2cc[nH]n2)c2ccccc12 T25156
CCN1CC2CN(C)CC(C1)C2OC(=O)c1ccc(Cl)cc1 T25157
S=C(NCc1ccc2OCOc2c1)N1CCN(CC1)c1ncnc2c3ccccc3oc12 T2516
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSC(=S)NCc1ccccc1)C(=O)NCC(O)=O T25160
CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(N)=N T25165
CN(C)CCNC1=CC(=O)c2sc(C)nc2C1=O T25167
Cn1cc(cn1)c1c2nc(c(c(n2nc1)N)Br)[C@@H]1CCCNC1 T2517
CC1C(O)OCC1C(C)=O T25170
[Br-].CCCCCCCCCCCCCCCC[N+](CC)(CO)CO T25171
NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1 T25172
c1[nH]sc2nc3ccccc3c12 T25174
ONC(=O)C1=CCCC1 T25175
CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1 T25176
FC1=CC=CC=C1NC(N2CCC3(CC2)CC(C(C)=O)[C@H](C4=C3C5=C(C=C(OC)C=C5)N4)CO)=O T25177
CCOC(=O)C(CCCC1Cc2ccccc2O1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O T25178
[Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccc(Br)cc1 T25180
CC(=O)N[C@@H]1[C@@H](O)[C@H](OS(O)(=O)=O)[C@@H](CO)O[C@H]1O[C@H]1C[C@H](N[C@@H]1CO)C(O)=O T25183
CCCCN(CCCC)CCNc1nc(no1)-c1ccccc1 T25184
Cl.CCCCN(CCCC)CCNc1nc(no1)-c1ccccc1 T25184L
O=C1C(CCN2CCC(C(C3=CC=C(F)C=C3)=O)CC2)=C(C)N=C4N1CCS4 T25185
COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C T25186
CCC(C)NCC(O)c1ccc2CCCCc2c1 T25187
CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC T25188
CCCCOCCOC(=O)C(N1CCCCC1)c1ccccc1 T25189
Cl.COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C T25190
CCCc1nc(N)nc(N)n1 T25191
COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1 T25192
OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl T25193
FC(F)(F)Oc1ccc(cc1)C(=N)NCc1ccccc1C(F)(F)F T25196
Cc1oc(nc1CCOc1ccc(C[C@H](NC(=O)\C=C\c2ccco2)C(O)=O)cc1)-c1ccccc1 T25198
CN(CCO)c1nc2n(C)c(=O)n(C)c(=O)c2n1C T25199
Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1 T2520
ONC(=O)C1CC(=NO1)c1ccc(OCc2ccccc2)cc1 T25200
NC(=O)CN1Cc2ccccc2OC1=O T25205
CCCCCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 T25207
Nc1nc(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1 T25208
CC(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1 T25209
NC(CCSCCCCC(O)=O)C(O)=O T25210
O=C(NCC1=CC=CN=C1)C2=CC=C([N+]([O-])=O)O2 T25212
CC(C)c1ccc(cc1)-c1oc2ccc(C)cc2c(=O)c1O T25213
FC(F)(F)c1cccc(c1)-c1ccoc1\C=C1\SC(=S)NC1=O T25214
[O-][N+](=O)c1ccc(cc1)-n1sc(Cl)cc1=O T25215
CC(C)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(=O)[nH]c2c1 T25216
CCCCCCCCCCCCCCC[C@H](O)[C@H](CO)NC(C)=O T25219
O.O.O.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O T2522
NCCCC[C@H](N)C(O)=O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)C(N)c1ccccc1)C(O)=O T25220
[H][C@]12SCC(CSc3nnc(C)s3)=C(N1C(=O)[C@H]2NC(=O)C(N)c1ccc(O)cc1)C(O)=O T25221
NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O T25226
NC1=NC=CC(/C=C/C2=CC=CC=C2)=N1 T25227
COc1ccccc1COc1ccccc1\C=C\C=C1\SC(=S)NC1=O T25228
CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC(F)F)C(=O)OC2 T25229
NC(=O)c1cn(Cc2c(F)cccc2F)nn1 T2523
CC(=O)SC[C@@H]1CCCCCCC(NC1=O)C(=O)N1CC(O)C[C@H]1C(=O)OCc1ccccc1 T25231
CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O T25232
Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccco2)c(C)c1 T25235
ClC(C1=CC=C(C(Cl)(Cl)Cl)C=C1)(Cl)Cl T25237
OC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(cc1)N(CCCl)CCCl T25238
C[C@H](c1cnc[nH]1)c1cccc(C)c1C T2524
O[C@@H]([C@@H](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O T25240
Clc1ccc(CSc2ccc(Cl)cc2)cc1 T25241
ClCCN(CCCl)c1ccc2ccccc2c1 T25242
ClCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T25243
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)CCl)C(O)=O T25244
[Na+].OP([O-])(=O)Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1F T25245
CC(C)=CC1C(C(O)=O)C1(C)C T25246
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC(C#N)C(N)=O)CN2C T25247
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#N T25248
CC(C)NCC(=O)Nc1ccc(cc1)-c1ccccc1 T25249
Cl.Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C T2525
O=C(NC1=CC=C(C(C)=O)C=C1)CSC2=NN=C(C3=CC=CC=C3OC)O2 T25250
COc1ccc(\C=C/C(=O)c2c(O)ccc3c(C)cc(=O)oc23)cc1OC T25251
COCC1CN(C(=O)O1)c1ccc(OCc2cccc(c2)C#N)cc1 T25252
C[C@@H]([C@H](SC(C)=O)C(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O T25254
Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S(=O)(=O)O[Na])cc1 T25256
[K+].[O-]S(=O)(=O)c1cc2C(=O)N(Cc3ccccc3)C(=O)c3cccc(c1)c23 T25257
Clc1ccc(cc1)C(C#N)c1ccc(cc1Cl)-n1ncc(=O)[nH]c1=O T25258
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC1CCCCC1 T25259
CNC(=O)Oc1ccccc1OC(CCl)OC T25260
COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(O)=O)c2c1 T25261
[H][C@@]12C[C@@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Cl)C2=CC(=O)CC[C@]12C T25262
Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)c1ccc(F)cc1 T25263
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)C=C[C@]12C T25264
Oc1ccc(Cl)cc1Cc1ccccc1 T25266
Cn1nc(nc1Oc1ccc(cc1)C(C)(C)C)[N+]([O-])=O T25267
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(C)=O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 T2527
C[C@@H](O)[C@H](C)[C@@H](O)C(=O)N[C@@](C)(CO)C(O)=O T25270
O[C@@H](CC#N)C=C T25275
CC1CC(CC(C)(C)C1)OC(=O)[C@@H]1CCC(=O)N1 T25276
CCCC(CCC)C(=O)N([C@@H](CCCNC(N)=N)C=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(O)=O T25279
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CCc1ccccc1 T2528
NCC1=CC(C)=C(NC(C2=CC=C(C3=CC(Cl)=CC=C3Cl)O2)=O)C(C)=C1.Cl T25282
CN(C)c1ccc(cc1)-c1cc(C)cc(=O)[nH]1 T25284
Cc1cc(ccc1F)C1=C(\C=C\[C@H]2C[C@H](O)CC(=O)O2)C(C)(C)CC(C)(C)C1 T25285
NCCCNc1ccc2ccc(NCCCN)nc2n1 T25286
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H](N)C(O)=O T25287
NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1 T25288
CC(=O)N[C@@H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O T2529
COc1ccc(Nc2nc(N)c(s2)C(=O)c2ccccc2)cc1 T25290
Clc1ccc(C(=O)NC[C@]2(CC3CC3)CC[C@@H](CC2)S(=O)(=O)CC2CC2)c(Cl)c1 T25292
OC(=O)CC[C@H](NC(=O)N[C@@H](CSCc1ccc(F)cc1)C(O)=O)C(O)=O T25293
OC(=O)CC[C@H](NC(=O)N[C@@H](CSCc1ccc([18F])cc1)C(O)=O)C(O)=O T25294
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc([18F])nc1)C(O)=O)C(O)=O T25295
Nc1nc2CCC(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(N)n1 T25296
NCCC[C@H](NC(=O)c1ccc(NCc2ccc3[nH]c(N)nc(=O)c3c2)cc1)C(O)=O T25297
NC(C(CC=O)C(=O)NO)C(O)=O T25298
Cl.Cl.O[C@H](CNCCCl)[C@@H](O)[C@H](O)[C@H](O)CNCCCl T25299
O.CC(=O)N[C@@H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O T2529L
C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1 T2530
COc1cc2OCc3oc4c5C[C@@H](Oc5ccc4c(=O)c3-c2cc1OC)C(C)=C T25300
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1 T25301
[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] T25304
CC(N(C)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c1cnc2nc(N)[nH]c(=O)c2n1 T25306
Cl.OC(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1 T25307
CCCCCCC(C)OC(=O)C(=C)C#N T25309
CC(Cc1ccccc1)NCC#C T25311
CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]44C[C@@H]([C@H]2[C@H]4O)[N@@+]3(CC(O)CN(CC)CC)[C@@H]1O T25312
C12=N[C@@H](C3=CC=CC=C3)CN1CCS2 T25315
CC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 T25316
O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21 T25318
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O T2531L
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T2532
N(c1ccc(Nc2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 T25320
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O T25322
CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl T25323
CC12CCC(=O)N1CC(C)(C)CN2C(=O)C(Cl)Cl T25325
Cl.OC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 T25329
CN1CCC(CC1)=C1c2ncc(C=O)n2CCc2ccccc12 T2533
O[As](O)(=O)c1ccc(NCCNc2ccc(cc2)[As](O)(O)=O)cc1 T25330
Nc1nc(=O)c2N=C(CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 T25332
C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(c1)C(N)=O T25333
CC(C)=CC1C(C(=O)OCc2ccc(C)cc2C)C1(C)C T25334
O=P(N1CCN(P(N2CC2)(N3CC3)=O)CC1)(N4CC4)N5CC5 T25338
O=C(OCCN1CCCCC1)C(N1CCCCC1)c1ccccc1 T25339
[Cl-].[Cl-].O=C(OCC[NH+]1CCCCC1)C([NH+]1CCCCC1)c1ccccc1 T25339L
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O T25340
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(O)=O T25341
CC(C)N(CCC(CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C T25344
C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 T25346
CC(O)=O.CCCCCCCCCCCCNC(N)=N T25347
O=C1NCNC1(c1ccccc1)c1ccccc1 T25348
CN(C)c1ccc2[nH]c(nc(=O)c2c1)-c1cccc2ccccc12 T25350
Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 T25353
COc1cccc2[C@H]([C@@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 T25354
[H][C@]12CN([C@H](C(N)=O)C(C)=C1)C(=O)N2OS(O)(=O)=O T25355
FC1=CC=C2C(OC(C(OC(C(N3C(NCC3)=O)=O)C)=O)=C2C)=C1 T25356
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CCC(=O)C2(C)C T25357
CCOCCOC(=O)c1nc2cc(Cl)ccc2o1 T25360
CO[C@@H]1C[C@@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@@H](CO)O1 T25361
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(OC(=O)CCC)=C1CCCCCCC(=O)OCCCC T25362
FC(F)(F)[C@@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 T25363
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O T25364
Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Br)cc1 T25365
CCCCCCCC\C=C\CCCCCCCCNS(N)(=O)=O T25366
N1CCC(CC1)CCCCOc1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)CCCC.Cl.O T2537
COc1ccc(cc1OC)C(=O)N1CCCc2cc(ccc12)C1=NNC(=O)S[C@@H]1C T25372
COc1ccc(cc1OC)C(=O)N1CCCc2cc(ccc12)C1=NNC(=O)S[C@H]1C T25373
COC(=O)CCC=C=CCC1C(\C=C\C(O)COc2ccccc2)C(O)CC1=O T25375
COc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(CCNC(N)=O)c3=O)-c2cc1OC T25376
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1 T25377
Cl.Cl.Clc1ccc(cn1)C1CC2CCC1N2 T25379
CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCc1ccccc1 T2538
C(C1CO1)N1CCC(CC1)C1CCN(CC2CO2)CC1 T25380
CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1 T25381
CCCCCCC1CNC2C=C\C(=C/C=C/C(=O)N[C@@H](CCC(N)=O)C(O)=O)C22OC12 T25382
Cl.Cl.COC(CN1CCN(CCC(O)c2ccccc2)CC1)c1ccccc1 T25383
CCOC(=O)Nc1ccc(SC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(OC)cc2)cc1 T25384
Nc1ncnc2n(C[C@@H](O)[C@@H](O)C(O)=O)cnc12 T25385
CCCC(=O)O[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H](O)CO T25388
CCCC(=O)OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O T25389
Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 T2539
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)N(CCCl)CCCl)cc3CC[C@@]21[H] T25391
CCS(=O)(=O)c1ccc(\C=C(/C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1 T25393
C\C(CNCCNS(=O)(=O)c1cccc2cnccc12)=C/c1ccc(Br)cc1 T25394
CCN(CC)CCOc1ccc(cc1)C(O)(Cc1ccc(OC)cc1)c1ccccc1 T25395
CCOP(=S)(OCC)Oc1ccc(cc1Cl)[N+]([O-])=O T25397
Cl.CCC(N)C(O)c1ccc(O)c(O)c1 T25398
Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1 T25399
CC1(C)CC(CC(C)(C)N1)NC(=O)c1ccc(Oc2cccc(-c3ccnnc3)c2C#N)c(Cl)c1 T25400
O=C(NCC(C)C)/C=C/C1=CC=C(OCO2)C2=C1 T25402
CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ncn[nH]1 T25403
Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1 T25407
COc1ccccc1N1CCN(Cc2ccc3cccccc23)CC1 T25408
Fc1ccc(cc1)C1(CC1)c1nc(cs1)-c1ccncc1 T25409
O=C(O)CC1=CC=CC=C1OC2=CC=C(Cl)C=C2Cl T25411
OC(=O)C(Cl)c1ccc(C2CCCCC2)c(Cl)c1 T25412
CN(C)CCN1c2ccccc2Sc2ccccc12 T25413
CCNC1=NC(=O)C(O1)c1ccccc1 T25414
CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C T25415
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 T25416
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2)cc1)C(=O)C1CCCCC1 T25417
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12 T2542
O=C(NCCCCC1CCN(C(C2=CC=CC=C2)=O)CC1)/C=C/C3=CC=CN=C3.[H]Cl T25421
CC(C)(C)NCC(O)c1ccccc1F T25423
[H][C@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO T25426
FCCOC(=O)Cc1ccc(cc1)-c1ccccc1 T25427
CC(=C)CNc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F T25428
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C2=CC(=O)CC[C@]12C)C(F)(F)F T25429
Cl.COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12 T2542L
CC(C)n1c2cc(C)ccc2c(nc1=O)-c1ccc(F)cc1 T25431
Fc1ccc(cc1)N1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1 T25432
Cc1ccc(F)cc1NC1=NCCN1 T25433
O=C(O)CC[C@@H](C([O-])=O)NC(C1=CC=C(N2CN3C4=C(N=C(N)NC4=O)NCC3C2)C=C1)=O.[Ca+2] T25435
COP(O)(=O)N(C)NC(=O)[C@@H](N)CC(C)C T25438
CC(C)[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O T25441
NC(=O)\C=C\C(=O)NC(=O)Cc1ccccc1 T25442
CC(=C)[C@@H]1CNC([C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O T25444
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](C[C@H](O)[C@@]34C)[C@H](C)CCC=C(CO)CO)[C@@]1(C)CCC(=O)C2(C)C T25445
CC(C)[C@H](N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 T25446
CN[C@@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@H]2[C@@H](N)C[C@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@@H](NC)[C@H]3O)[C@@H]2O)O1 T25447
Cc1nc2c(cccc2n1-c1ccc(s1)C(=O)NC1CC1)C#N T25448
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NCc2c[nH]cn2)cc1-c1cccc2ccccc12 T25450
CC(C)Oc1cc(OCCc2ccsc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O T25451
COC[C@H](C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)ns1 T25452
N[C@@H](CCC(N)=O)C(N)=O T25454
NC(=O)CC[C@H](NCCS(O)(=O)=O)C(O)=O T25455
OC(CO)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O T25457
[H][C@@]12CC\C(=N/O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@](O)(CC[C@]12C)C#C T25458
Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 T2546
C[C@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2c(C)c1F)C1CC1 T25461
[H][C@@]12O[C@](C=C1O[C@H]([C@H]2O)n1cnc2c(N)ncnc12)([C@@H](O)C(O)=O)C(O)=O T25463
COC(=O)c1ccc(\C=C\c2ccc(o2)[N+]([O-])=O)o1 T25464
OC(=O)c1ccc(cc1)N1N=C(Cc2ccccc2)\C(=C/c2ccc(o2)-c2ccccc2F)C1=O T25465
COC[C@@]12C[C@@]1(CCNC2)c1ccc(Cl)c(Cl)c1 T25467
Cc1nc2ccc(C)cn2c1C(=O)NCc1cccs1 T25468
CCc1ccc(s1)S(=O)(=O)Nc1cc(ccc1F)-n1c(C)nc2ccccc2c1=O T25469
N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O T2547
CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O T25471
CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 T25472
Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccccc2)n1 T25473
NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O T25474
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(O)=O T25476
NC1C2CC3CC(C2)CC1(C3)C(O)=O T25477
Cl.COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 T25478
C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO T2548
Cl.Cl.C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(Br)c12 T25482
Cl.Cl.C[C@H]1CNCCCCN1S(=O)(=O)c1cccc2cncc(Cl)c12 T25483
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(C(=O)N1CCCC1)c1cccc(Cl)c1 T25486
OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc1cccc(O)c1)c1ccsc1 T25488
ONC(=O)CCCCCCN(c1cccnc1)c1ccccn1 T25489
Cl.Clc1ccc(\C=N\NC(=N)N\N=C\c2ccc(Cl)cc2)cc1 T2549
C\C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2CCCCc2c1 T25491
Brc1ccc(cc1)C1Nc2cccc3cccc(N1)c23 T25492
Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O T25493
CN(C)CCN(Cc1ccccc1)c1ncccn1 T25494
CCCCCCCCCCCCCCCCOP(O)(=O)OC[C@H](N)C(O)=O T25495
O=C(N1CCCCCC1)c1ccccc1 T25497
CCCCCC(N)C(O)(c1ccccc1)c1ccccc1 T25498
OC(CNCCCCCCNCC(O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 T25499
Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C T2550
CCCCCC(=O)NCCc1c([nH]c2cc(OC)ccc12)C(C)=O T25500
COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1 T25501
Cc1cc(nn1Cc1ccc(C)cc1)-c1nc(no1)-c1ccc(OC(F)(F)F)cc1 T25502
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(cc1)N(CCCl)CCCl T25503
NC(=N)NCCC[C@H](NCCN[C@@H](Cc1c[nH]cn1)C(O)=O)C(O)=O T25504
COc1c(OC)c2-c3ccccc3C(=O)c3nccc(c1OC)c23 T25505
N[C@@H](CCc1ccc(O)cc1)C(O)=O T25506
CCCCC\C=C\c1ccc(OCCCC(O)=O)cc1 T25508
COc1ccc2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)c2c1 T25509
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N T2551
ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O T25510
[H][C@@]12CC[C@](O)(C(=O)COC(=O)[C@@H](N)CCCCN)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T25511
CN[C@@H](C(C)C)C(=O)N([C@@H](Cc1ccc(O)cc1)C(N)=O)C(Cc1ccc(O)cc1)P(O)(O)=O T25515
Cc1nc(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1 T25519
[C@@H]([C@@H](C(=O)O)S)(C(=O)O)S T2552
CSc1nnc(o1)-c1ccc(nc1C)C(F)(F)F T25523
CN1CCN(CC1)C(=O)c1ccc2Sc3ccccc3C(=O)N(Cc3c(F)cccc3Cl)c2c1 T25524
S=C1NC(=S)c2ccccc12 T25525
OC(=O)CCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1 T25526
OC(=O)CCC(=O)Nc1ccc(cc1)-c1nc2cc3ccccc3cc2[nH]1 T25527
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2OCCOc2c1 T25528
CC(C)(C)NC(=S)N\N=C\c1ccc(O)cc1O T25529
OCCOCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F T2553
C\C(=N/NC(=S)NC(C)(C)C)c1cc(F)cc(F)c1O T25530
Cc1cccc(Nc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1 T25531
Cc1ccnc(Nc2nc(cs2)-c2ccc(s2)-c2ccccn2)c1 T25532
C(Cc1c[nH]c2ccccc12)C1CCNCC1 T25533
Oc1ccc(cc1)-n1nc2ccc(O)cc2c1Cl T25534
[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CCC1=C(CC)C(=O)CC[C@@]21[H] T25536
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1c(I)cccc-21 T25537
CN(C)CC#CCOC1=NOCC1 T25538
CC(C)OP(=O)(OC(C)C)SCc1ccccc1 T25539
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1 T2554
CC(Cc1ccccc1)N(C)C(=O)Cn1nc(ccc1=O)-c1ccccc1 T25542
OC(=O)CC(O)(CC([O-])=O)C(O)=O.CC(C)C(CC(C)[NH+](C)C)(C#N)c1ccccc1 T25543
COP(=O)(OC)Sc1ccc(Cl)cc1 T25544
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)NC[C@H](O)c1ccc(O)c(O)c1 T25546
[Na+].[Na+].[Na+].CC(=O)NC(CC([O-])=O)C(=O)NC(CCC([O-])=O)C([O-])=O T25547
CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1 T25548
CCCOc1oc(=O)c2cc(N)ccc2c1Cl T25549
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O T25554
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3 T25556
NA T25557
FC(F)(F)Oc1cccc(Cl)c1-c1ccc2[nH]c(=O)[nH]c2c1 T25558
Clc1cccc(CC#N)c1-c1ccc2[nH]c(=O)[nH]c2c1 T25559
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C T2556
COc1c2C(=O)OCc2c(-c2ccc3OCOc3c2)c2cc3OCOc3cc12 T25562
ONC(=O)CCC1=CCCN(CCCc2ccccc2)C1=O T25566
OC(C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 T25568
[H][C@]12[C@@H](C)[C@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O T25569
CCOC(C)C(=O)C(O)O T25570
[H][C@]12O[C@@]1([H])[C@@]1([H])C3[C@@]2([H])[C@H]2[C@@]1([H])[C@@]1(Cl)[C@]3(Cl)C(=O)[C@]2(Cl)C1(Cl)Cl T25571
OC(=O)C(=O)CC1CC1=C T25572
CC(C)CC(CC(=O)C(O)C(N)Cc1ccccc1)C(O)=O T25573
OC(=O)C(=O)[C@@H]1CCC=CC1 T25574
[O-][N+](=O)O[C@H]1CO[C@@H]2[C@H](CO[C@H]12)N1CCN(CCCSc2ccccc2)CC1 T25575
[NH4+].NC(=O)C1C2OC(C=C2)C1C([O-])=O T25576
[H][C@@]12CC[C@]3(C1)[C@@H](CO)CC[C@]3([H])C(=C)C2(C)C T25577
CC1=C2C=C3C(=O)c4ccc(O)cc4C(=O)C3(O)C(C)=C2CC1 T25578
Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 T2558
CC(=O)OC1(C)C(O)C(O)c2c(C1O)n(C#N)c1c2C(=O)c2cccc(O)c2C1=O T25581
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@](C)(O)[C@@H](OC(C)=O)c2c1c1c(C(=O)c3c(O)cccc3C1=O)n2C#N T25582
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C)Cc1nc4ccccc4cc1C[C@@]23O T25583
COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC T25584
COc1ccc2c(C)c(oc2c1)C(=O)N(CCCN1CCCCC1)c1ccccc1 T25585
Cc1c(oc2ccccc12)C(=O)N(CCCN1CCCCC1)c1ccccc1 T25586
CC\C(=C/C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl T25588
COc1ccc2nc3cc(OC)c(=O)c(Br)c3sc2c1 T25589
O[C@@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@H]4C(=CCCC4)CC3)CC2)CC1)C)CC=C T2559
Cl.OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 T25590
Clc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1 T25591
[H][C@]12CC[C@](C)(O)[C@H](CCC(=C)C=C)[C@]1(C)CCCC2(C)C T25592
CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 T25595
[H][C@]12O[C@@]1([H])[C@@]1(CCC(CO1)OC(=O)CC(C)C)C=C2OC#CC#CC T25596
CC(=O)NC1CON(C1=O)C1(CCC(=O)O1)C(O)=O T25597
O=C(C1=CC=C(O)C(O)=C1)C2=C(O)C=C(O)C=C2O T25601
CC1(C)[C@H](\C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1 T25604
COC(=O)[C@H]1CCC[C@]2(C)[C@@H]1CCC(=C)[C@@H]2CCc1ccoc1 T25605
NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)OCC(O)=O T25607
Nc1ccn([C@@H]2CS[C@@H](CO)O2)c(=O)n1 T25609
OC(=O)C(F)(F)F.CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O T25618
CC1=NN(C(=O)\C1=N\Nc1cccc(-c2cccc(c2)C(O)=O)c1O)c1ccc(C)c(C)c1 T2562
[H][C@]12C[C@H](O)\C=C/C(/C)=C\C[C@H](O)\C=C/C(/C)=C\[C@@H](NC(=O)[C@@H](C)O)[C@](C)(C(=O)O1)C(=O)[C@@H]2C T25620
[H][C@]12C[C@H](O)\C=C/C(/C)=C\C[C@H](O)\C=C/C(/C)=C\[C@@H](NC(=O)C(C)=O)[C@](C)(C(=O)O1)C(=O)[C@@H]2C T25622
CC(O)C(=O)NC1\C=C(/C)\C=C\C(O)C\C=C(/C)\C=C\C(C\C=C(C)\C(=O)C1C)OC(C)=O T25623
CO[C@@H]1[C@H](C)CO[C@@H]([C@H]1OC(=O)CN)C(\C)=C\C=C\C=C\C T25625
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]11CC[C@](O)(OC1)C2(C)C T25627
CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1 T25628
OCCN(CCc1cc2ccccc2[nH]1)Cc1ccc(\C=C\C(=O)NO)cc1 T25629
[Cl-].CC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C T2563
Cc1cccc(C)c1OCCN1CCC(CC1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 T25632
Cl.COc1c(N2C[C@@H](F)[C@@H](CNC3CC3)C2)c(F)cc2c1n(CCF)cc(C(O)=O)c2=O T25633
[H][C@@]12[C@H](CC[N+]1([O-])CC=C2COC(=O)[C@@](O)([C@H](C)OC)C(C)(C)O)OC(=O)C(\C)=C/C T25634
CC(C)C1OC(=O)C(Cc2ccccc2)N(C)C1=O T25635
[H][C@]12C[C@@]1(C)[C@](C)(CC2)c1cc(Br)c(C)cc1O T25638
Cl.Cl.CCCCCCCCCCCCOc1ccc(NC(N)=N)cc1NC(N)=N T25639
CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 T25640
[H][C@@]12Cc3cc(O)c(OC)cc3-c3c(OC)c(OC)cc(CCN1)c23 T25641
Cc1c(nc(-c2ccc3C(=O)C=C(N)C(=O)c3n2)c2[nH]c3ccccc3c12)C(O)=O T25642
CCCCCCN(Cc1cc(O)ccc1O)c1ccc(O)c(c1)C(O)=O T25644
COc1c(O)ccc(C2COc3cc(O)ccc3C2)c1OC T25645
NNC(=N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCC2CCCC2)cc1 T25646
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C\C=C\CF T25647
[H][C@@]12CCc3c[nH]nc3[C@@]1([H])CCc1c[nH]nc21 T25648
NCCCC[C@H](N)C(O)=O.CC(C(O)=O)c1ccc(cc1)C(=O)c1cccs1 T25649
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 T2565
Nc1nc(Nc2cccnc2)sc1C(=O)c1cccc(F)c1 T25650
[H][C@@]12CCC(C)=C3CC[C@@H](C)[C@@]3([H])[C@]1([H])C2(C)C T25652
COC(=O)c1c(O)ccc2C(=O)c3c(O)c(C)ccc3C(=O)c12 T25653
CCN(CC)CCOc1ccccc1-n1c(C)ccc1-c1ccccc1 T25654
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)NCC#C)c34 T25655
CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(C)CC#C)c34 T25656
CS(O)(=O)=O.[H][C@@]12Cc3c(Br)[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(C)CC#C)c34 T25657
CC(C)[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](O)C(=C)[C@H]2[C@H]13 T25658
Cc1oc(=O)oc1COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O T25659
COc1ccc(\C=N\c2ccnc3cc(OC)c(OC)cc23)cc1OC T25660
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=O)c1ccc(F)cc1 T25661
[H][C@@]12CCCCN1C[C@H](O)[C@H]2O T25662
[H][C@@]12CC(C)(C)C[C@]1([H])[C@@]1(C)CC(=O)C1=C1C=C(C(O)=O)C(=O)O[C@@]21[H] T25663
[Cl-].Cc1c(C)[n+](Cc2ccccc2)cn1Cc1ccccc1 T25664
[Cl-].Cc1c(C)[n+](Cc2ccccc2)c(C)n1Cc1ccccc1 T25665
CC1=CC(O)(CCl)OC1=O T25666
[H][C@@]12C[C@H](OC(C)=O)\C(C)=C/[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C/C T25667
CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C T2567
[H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C T25671
CS(O)(=O)=O.[H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C T25671L
Clc1cnn(CCCCN2CCN(CC2)c2ncccn2)c1 T25672
Cl.CCN(CC)CCn1c(=O)oc2ccccc2c1=O T25673
CC(C)C[C@H](N)C=O T25675
CC(C)C[C@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O T25676
CCN(CC)C(COC(=O)c1ccc(N)cc1)CC(C)C T25677
CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O T25684
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O T25685
CC(C)C[C@H](N)[C@](O)(Cc1c[nH]cn1)C(O)=O T25686
COc1ccc(cc1)C(Cl)=C(c1ccc(OC)cc1)c1ccc(OC)cc1 T2569
O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2Cc2ccc(O)cc12 T25690
CC(C)[C@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1 T25692
Cl.CC(C)[C@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1 T25692L
O[C@@H]([C@H](O)C(O)=O)C(O)=O.COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3C)c2c1 T25693
COc1ccccc1OC[C@@H](O)CNC(C)C T25694
[H][C@@]12CC[C@@H](O)C[C@@]1([H])c1c(N[C@H]2C)cc(O[C@H](C)CCCc2ccccc2)cc1OC(C)=O T25696
CN1C[C@@H]2CCC[C@H](C1)C2OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 T25697
Cl.CN1C[C@@H]2CCC[C@H](C1)C2OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 T25697L
CNC[C@H](O)CC12CCC(c3ccccc13)c1ccccc21 T25698
CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12 T2570
COc1ccc2[C@H]([C@H](c3ccccc3)C(C)(C)Oc2c1)c1ccc(OCCN2CCCC2)cc1 T25700
NC(=O)c1ncn(n1)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O T25702
Cl.CC(C)[C@H](N)C(=O)ONC(=O)c1ncn(n1)[C@H]1O[C@@H]([CH]O)[C@H](O)[C@@H]1O T25702L
CCCn1cc(NC(=O)c2ccc(NC(C)=O)o2)cc1C(=O)NCCCN(C)C T25703
Cc1nc(NC(=O)c2cc(NC=O)cn2C)sc1C(=O)NCCC(N)=N T25704
CC1CCN(CC1)c1ccc(N)cc1C(=O)c1ccc(Cl)cc1 T25705
[I-].CC[N+]1(CC)C2CCC1CC(C2)OC(=O)C1CCCC=C1c1ccccc1 T25706
Cl.COC(CNCC(C)C)COc1c(C)csc1C(=O)CCc1ccccc1 T25707
Cl.CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)OC T25708
Cl.OC(=O)c1ccc(OCCn2ccnc2)s1 T25709
Cl.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 T2571
Cl.OC(=O)c1cc(Cl)c(OCCn2ccnc2)s1 T25710
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)NC(O)CN T25712
CC(C)(C)c1ccc(CN2C(=O)S\C(=C/c3ccc(O)c(c3)[N+]([O-])=O)C2=O)cc1 T25713
OC[C@H](O)[C@H](O)[C@@](O)(CO)C=O T25714
Cl.Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1 T25716L
N[C@H](C(O)=O)c1cc(=O)[nH]o1 T25717
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3 T25718
CNC(=N)NC(=O)Nc1c(C)cccc1C T25719
CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 T2571L
[I-].CC[N+](C)(CC)CC(=O)Nc1c(C)cccc1C T25720
ClCCN[P@@]1(=O)OCCCN1CCCl T25723
[H][C@]12CC[N+]3(C)CC=C(COC(=O)[C@](C)(OC(C)=O)[C@H](C)C(OC(C)=O)\C(=C\C)C(=O)O1)[C@]23O T25724
CCN(CC)CCOc1c(Cl)cc(Cl)cc1-c1ccccc1 T25725
Clc1ccccc1OCCNC1CC1 T25726
OC1=C(NC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)C(=O)CC1 T25729
C\C(=N/Nc1ccc(cc1)S(C)(=O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C T25730
N[C@@H](CCC(=O)NN1CCC[C@@H]1C(O)=O)C(O)=O T25731
CC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O T25732
CCC[C@H]1C[C@@H](N(C)C1)C(=O)N[C@H](CO)C(O)c1ccc(cc1)[N+]([O-])=O T25733
C[C@@H](O)[C@@H](N)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O T25734
CC(=O)OC[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(CC4=C)[C@@H](O)CC12 T25735
[H][C@]12CC[C@@]34COC(=O)C3=CC=C[C@@]4([H])[C@@]1(C)C[C@@H](OC2=O)c1ccoc1 T25736
CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@H]2[C@H]2OC(=O)C(=C)[C@H]12 T25738
CN1CCC\C1=N/C(=N/c1ccccc1)/N1CCOCC1 T25739
OC(=O)\C=C\C(O)=O.CN1CCC\C1=N/C(=N/c1ccccc1)/N1CCOCC1 T25739L
Cl.COc1cc2[nH]nnc2cc1C(=O)NCC1CCCN1CC=C T2574
OC(=O)COc1ccc(CCNS(=O)(=O)c2ccccc2)s1 T25741
[I-].C[n+]1ccc2cc3OCOc3c3-c4ccccc4C(=O)c1c23 T25743
Fc1cc(ccc1NC1=NCCC1)-c1ccc(NC2=NCCC2)c(F)c1 T25744
C[C@H](N)C(=O)N[C@@H](COC(=O)C=[N+]=[N-])C(O)=O T25745
Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1 T25746
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 T25747
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)OCc1ccccc1 T25748
Cl.Cl.NCCCC[C@H](NCC=N)C(O)=O T25749
OS(O)(=O)=O.NC(=N)NCCN1CCCCCCC1 T2575
Cl.CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 T25750
CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1C)C(=O)OC T25751
COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c2oc(=O)c(c(O)c12)-c1ccc(O)cc1 T25752
CN(C)C(=O)C(CC[N@+]1([O-])CC[C@](O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 T25753
[H][C@@]12N(C)c3ccccc3[C@]11C[C@H]3[C@@H]([C@H]1OC(=O)CCl)[C@H]1C[C@]2([H])N3C(O)[C@H]1CC T25755
Cl.CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)CCl)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1ccccc51 T25756
Cl.CC(C)N1CCC(CC1)N(C(=O)Cc1ccccc1)c1ccc(Cl)cc1 T25757
CC(=O)c1cccc(c1)-c1cccc(c1)-c1ccn(CCN2CCOCC2)n1 T25758
C[C@H](OC(C)=O)[C@@H]1O[C@H](C[C@@H]1N1C(=O)c2ccccc2C1=O)n1cc(C)c(=O)[nH]c1=O T25759
Cc1cc2c(ccc(c2F)Oc2c3c(C)c(cn3ncn2)OC[C@@H](C)OC(=O)[C@H](C)N)[nH]1 T2576
CCOc1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 T25760
CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1 T25761
Nc1nc(=O)c2[C@@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 T25763
Cc1ccc(cc1)-c1nnc(nc1-c1ccc(C)cc1)N1CCC(O)CC1 T25764
COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC T25765
OC(=O)\C=C\CCC1SCC2NC(=O)NC12 T25766
NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T25768
COc1cccc(c1)C#Cc1ccc(C)cn1 T25769
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N T2577
CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC T25772
O=C(CCCC#C)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O T25773
CC1COC2=C(C)C(=O)C(=O)c3c(C)ccc1c23 T25775
CC1=COC2=C(C)C(=O)C(=O)c3c(C)ccc1c23 T25776
CC1(C)C[C@@H]2C=C(C=O)[C@]34C[C@@]3([C@H]2C1)C(=O)O[C@@H]4O T25777
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 T25779
OC[C@@H]1CC[C@@H](O1)n1cnc2c(O)ncnc12 T2578
CCN(CC)C(=O)c1ccc(cc1)-c1cc(NCCCN2CCCCC2)c2ccccc2n1 T25780
[O-]C(=O)\C=C\C([O-])=O.C[NH+](C)CC(Oc1ccccc1)Oc1ccccc1 T25786
Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1 T25787
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)[C@@H]1C[C@@H](O[C@H]1O)[C@H](O)C(C)(C)O T25788
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)[C@@H]1C[C@@H](O[C@H]1O)[C@H]1OC1(C)C T25789
CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccccc1 T2579
OC(=O)C(=O)C(O)=O T25792
COC(C)C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 T25793
CSc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1 T25794
COC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 T25796
COC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O T25797
CSCC[C@H](NC(C)=O)C(=O)O[SiH](CO)CO T25800
CC(=O)N[C@@H](Cc1ccc(O[SiH](CO)CO)cc1)C(O)=O T25801
CN1c2ccccc2Sc2ccc(CC(O)=O)cc12 T25802
[Zn++].[S-]C(=S)NCCNC([S-])=S T25803
CN1C[C@@H](C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13)NC(=O)n1nc(C)cc1C T25805
Cc1ccc2nc(C)c(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c(=O)n2c1 T25806
COc1cc(cc(OC)c1O)C1Nc2cc(Cl)ccc2S1 T25807
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 T25809
Fc1ccc(cc1)C(=O)C1CCN(CCCn2c3ccc(Cl)cc3[nH]c2=O)CC1 T25813
O[C@@H](CBr)[C@@H](O)[C@@H](O)[C@H](O)CBr T25816
CN(C)CCN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O T25817
CCn1nnnc1NCc1ccc(cc1)C(C)C T25818
COC(=O)c1cc(Br)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1 T25819
Cl.CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 T25820
CCN(C(=O)c1ccco1)c1nn(C)c2nc3cc(OC)ccc3cc12 T25821
O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)C1CCCCC1 T25822
COc1ccc(cc1)-c1cc(NCCCN2CCCCC2)c2ccccc2n1 T25824
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O T25825
NS(=O)(=O)c1cncc(c1)-c1ccc2nccc(-c3cn[nH]c3)c2n1 T25826
OCCN(CCO)c1ncc2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO T25829
S(C[C@H](N)C(=O)O)CCCC/C=C(\NC(=O)[C@@H]1C(C1)(C)C)/C(=O)O T2583
CC1C(OCCN1Cc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 T25830
CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)cc(OC)c(C)c1C T25831
C[C@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N1CCC[C@H]1C(O)=O T25832
[H][C@@]12Cc3ccc(O)cc3[C@@](C)(CCN1CC1CC1)[C@H]2OC T25833
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C[C@H](OC)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] T25834
Cc1cc(=O)oc2cc(OCCN3CCOCC3)cc(OCCN3CCOCC3)c12 T25835
CS(O)(=O)=O.Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3Cc3ccoc3)c2c1 T25836
CCOC(=O)C1=C(NC(C)=C(C1CC)C(=O)SCCOC)c1ccccc1 T25837
N(\N=C\c1ccccn1)c1ccccn1 T25838
C\C(=N/Nc1nc(C)cc(C)n1)c1ccccn1 T25839
[Na+].CC1(C)CC1C(=O)N\C(=C/CCCCSCC(N)C([O-])=O)C(O)=O T2583L
COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 T25840
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O T25843
C(N(Cc1ccccn1)C(c1ccccn1)c1ccccn1)c1ccccn1 T25844
COC(C)C(=O)N[C@@H]([C@H](C)O)[C@@](C)(O)[C@@H](OC)C=O T25846
CCCCCCCC\C=C/CCCCCCCC(=O)NCCOP(O)(O)=O T25847
CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1cccc2ccccc12 T25848
CN(C(=S)Sc1nc2ccccc2o1)c1cccc2ccccc12 T25849
Cl.CCCC(N1CCCC1)C(=O)c1ccc2ccccc2c1 T25851
NC(=S)N\N=C\c1ccc(o1)-c1cccc(c1)C(F)(F)F T25852
[Na+].[NH-]S(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O T25853
CN(C)CC1CCCCCCCCCC(CN(C)C)C1=O T25855
COC(=O)c1cc2nc3c(C(=O)NCCN(C)C)c(O)c4ccccc4c3nc2cc1OC T25856
[Na+].COc1cc2nc3c4ccccc4c(O)c(C(=O)NCCN(C)C)c3nc2cc1C([O-])=O T25857
Fc1ccc(cc1)-c1n[nH]cc1\C=C1/SC(=N)N(C1=O)c1nccs1 T25859
Cc1ccc(Cc2c(cc(O)c(O)c2C#N)C#N)cc1 T25860
[Na+].Nc1cc(ccc1O)[As]=[As]c1ccc(O)c(NCOS[O-])c1 T25861
CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(nc1NC)C(C)C T25864
COC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O T25865
Cl.CC(C)C(OC(=O)c1cccnc1)c1ccc(Cl)cc1 T25866
[O-][N+](=O)c1ccc(\C=C\C=N\NC(=O)c2ccc(s2)[N+]([O-])=O)o1 T25869
[Na+].CC(C)c1cc2CCC3C(C)(CCCC3(C)c2cc1S([O-])(=O)=O)C(O)=O T2587
NC(C1O[C@@H]([C@@H](O)[C@H]1O)n1cc(C=O)[nH]c1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O T25872
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)C1=CO[C@H](C1)[C@H](O)[C@@H](C)CO T25873
CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCCCC1 T25874
Cc1ccc(Cn2c(NC3CCNCC3)nc3cccnc23)o1 T25875
CC1(C)C2CC1C(CCO)=CC2 T25877
OC(=O)\C=C/C(O)=O.COc1cc2CCNCC(c3ccccc3)c2cc1OC T25879
CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C T2588
Cl.CC(NCC=C(c1ccsc1)c1ccsc1)C(O)c1ccccc1 T25881
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)N[C@@H](Cc1ccccc1)C(O)=O T25883
CC12CCC3C(CCc4c(Br)c(O)c(Br)cc34)C1CCC2O T25884
OC(=O)c1ccccc1C(=O)Nc1ccc2-c3ccccc3C(=O)c2c1 T25885
Cl.CN(C)CCO[C@]1(Cc2ccc(Cl)cc2Cl)CC[C@@H](CC1)C(C)(C)C T25888
Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OCC23CC4CC(CC(C4)C2)C3)c1 T25889
O.CS(O)(=O)=O.O=C(O[C@H]1C[C@H]2C[C@@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12 T2589
Oc1c(ccc2cccnc12)C(Nc1cccc2cccnc12)c1ccccc1 T25890
NNC(=O)[C@H](CO)Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 T25893
FC(F)(F)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1C(F)(F)F T25894
N[C@@H](CCCNP(O)(=O)OS(N)(=O)=O)C(O)=O T25896
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc(O)cc1)C(O)=O T25897
NC(=N)C(O)c1ccc2OCOc2c1 T25899
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 T2590
OCC(=O)c1coc(=O)c2c(O)cccc12 T25900
O=C(C1=CC=CS1)NC2=CC=C(CC)C=C2 T25903
O=C(C1=CC=CS1)NCC2=CC=C(C)C=C2 T25904
COCC(=O)N(N1CCOC1=O)c1c(C)cccc1C T25905
CNCC(O)CC12CCC(c3ccccc13)c1ccccc21 T25906
Cl.CNCC(O)CC12CCC(c3ccccc13)c1ccccc21 T25906L
CC(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O T25907
OC(=O)CCC(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O T25908
O=C1c2ccccc2C(=O)C1(CN1CCOCC1)c1ccccc1 T25909
C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O T2591
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CCCC[C@@]34O)c2c1 T25910
OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1 T25911
[Br-].C[N+]1(C)CCCC1CO.OC(=O)C(O)(C1CCCCC1)c1ccccc1 T25912
CCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T25916
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(O)=O T25918
NS(=O)(=O)c1cc2c(NC(Cc3ccc(F)cc3)NS2(=O)=O)cc1Cl T25919
CCCN(CCC)CCc1c2CC(=O)Nc2ccc1.Cl T2592
Cl.NC(=N)c1ccc(C=C2c3ccccc3-c3ccccc23)cc1 T25920
CCCCCCCCCCCCNc1ccc(O)cc1 T25925
CCCCC(O)\C=C(/C)\C=C\C=C\C(=O)N1CCCC1=O T25926
COc1ccc(COC(=O)[C@@H](N)C(C)(C)O)c2nc3cccc(C(O)=O)c3nc12 T25928
O.Cl.NCCCC(N)(C(F)F)C(O)=O T2593
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C(O)=O)[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T25930
CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl T25931
[Br-].[Br-].C[N+](C)(C)CCCCC[N+](C)(C)C T25932
CC(O)C(O)=O.[H][C@@]12Cc3ccc(O)cc3[C@@](C)(CCN1CC=C(C)C)[C@H]2C T25933
CC(C)CC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 T25934
OC([C@H](O)C(O)=O)C(O)=O.C[C@H](c1ccccc1)C(C)(C)N T25935
CCCCCOc1ccccc1 T25936
CCN(CC)C(=O)C1(CC1CN)c1ccccc1 T2594
CC(C)[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T25940
OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CS T25941
[O-][n+]1c2ccccc2nc2ccccc12 T25942
C[C@@H]1O[C@@H](OC(=O)c2cccc3nc4c(CC=C(C)C)cccc4nc23)[C@H](O)[C@H](O)[C@@H]1O T25943
CC(=O)COc1ccccc1 T25944
CN1C(=O)CC(C1=O)c1ccccc1 T25945
CCCC(=O)Oc1ccccc1 T25946
C1N[C@@H](CN[C@@H]1c1ccccc1)c1ccccc1 T25948
Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O T2595
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C(N)CCP(=O)CO)C(O)=O T25950
COc1ccc2OC(N3N=C(CC3c2c1)c1ccccc1)c1cccc(c1)[N+]([O-])=O T25951
[O-][N+](=O)c1cccc(c1)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O T25952
[Na+].[O-][N+](=O)c1ccc(cc1)C1=NN(C(=O)\C1=N\Nc1ccc(cc1)S([O-])(=O)=O)c1ccccc1 T25953
CC(C(=O)Nc1cc(C)ccn1)c1cccc(c1)C(=O)c1ccccc1 T25956
Cl.Cl.OCCN1CCN(CC\C=C2\c3ccccc3COc3ccc(Cl)cc23)CC1 T25958
CCCCC1(CN2CCN(C)CC2)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T25959
CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O T2596
O=C(O)/C=C/C=C/C1=CC=C(OCO2)C2=C1 T25960
CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C T25961
COc1c(OCCN2CCCCC2)c(C(O)CCc2ccc(O)cc2)c(OC)c2ccoc12 T25962
Cl.Cl.CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)n1 T25963
CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC T25964
Cl.Cl.CC[C@@H]1CCN[C@@H](C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O T25965
CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(O)Cc2cc1O T25966
[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CCC(CP([O-])([O-])=O)C([O-])=O T25968
CC(C)CNC1=NC(NCC2=CSC(C3=CC=CC=C3)=N2)=NC=C1.[H]Cl T25969
[K+].CCCCCCCCCCCCCCCCCCCCCC(=O)N1CC(O)CC1C([O-])=O T25975
[Na+].[O-]C(=O)CC1CCC(CC1)c1ccc(cc1)-c1ccc(Nc2ccc(nc2)C(F)(F)F)cn1 T25978
CCC[N@@+]12[C@H]3C[C@]45[C@H](O)[C@H]3[C@@H](C[C@H]1[C@@H]4N(C)c1ccccc51)[C@H](CC)[C@H]2O T25979
Nc1nc(N)c2nc(C[C@@H](CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T25980
Nc1nc(N)c2nc(C[C@H](CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T25981
C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@]11CC[C@@]2(COC=C2)O1 T25983
CC(C)NC[C@@H](O)COc1ccc(O)cc1 T25984
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)c1cccs1 T25985
NC(CO)(CO)CO.Cn1cccc1C(=O)C(C#N)C(=O)Nc1ccccc1 T25986
OC(C1CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 T25988
CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCCN1 T25989
Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 T2599
CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O T25990
CCC[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O T25993
CC(C)C[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O T25994
Cl.CCC[C@@H](C(=O)OCCN(CC)CC)c1ccccc1 T25995
C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O T25997
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCC\C=C\CCC(O)=O)[C@H](O)[C@@H]1O T25998
Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O T2600
CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc12 T26000
C1CNCc2cccc(CNCCN1)n2 T26002
C1CNCCN1.CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T26003
[Na+].[O-]n1ccccc1=S T26004
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(O)=O T26005
CN(C)C(=O)Oc1cc(C)nn1-c1ccccc1 T26006
COC(=O)c1nc2cc(Cl)c3cccnc3c2o1 T26009
COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1 T2601
CC(C)(C)c1cc(C(O)CCC2CCNCC2)c2ccccc2n1 T26010
CC(=O)c1ccc(O)c2ncccc12 T26011
Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 T26012
O[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)C1COc2ccccc2O1 T26013
C(Nc1nc2ccccc2s1)C1CCN(CC2COc3ccccc3O2)CC1 T26014
CN(C1CCN(CCCCOc2ccc(F)cc2)CC1)c1nc2ccccc2s1 T26016
CN(c1ccn(CCCCOc2ccccc2)c1)c1nc2ccccc2s1 T26018
Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 T26019
COc1ccc(nn1)N1CCN(CC1)c1cccc(C)c1 T26020
CCN(C(N1c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)=S)C(C)(C)C1=O T26021
C[C@H]1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=S T26023
Br.Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1 T26025
CCOC(=O)c1ccc(OCCCC2CCN(CC2)c2ccc(C)nn2)cc1 T26026
CO[C@@H]1OC[C@]23[C@H]1C(C)(C)CC[C@@H]2OC(=O)[C@@]12C[C@@H](C[C@H](O)[C@@H]31)C(=C)C2=O T26029
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 T2603
CC(=O)OC[C@@]12[C@H](CCC(C)(C)[C@H]1CO)OC(=O)[C@]13C[C@H](C[C@H](O)[C@H]21)C(=C)C3=O T26030
CC1(C)CC[C@H](O)[C@]23[C@@H]4CC[C@@H]5[C@@H](O)[C@]4([C@H](O)C5=C)[C@](O)(OC2=O)[C@@H](O)[C@H]13 T26031
CC1(CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O T26032
CCN(CC)CCCN1C(=O)CC2(CCCc3ccccc23)C1=O T26033
CCCCCCCN(C)CC(=O)Nc1c(C)cccc1C T26036
CN(CCCCCl)CC(=O)Nc1c(C)cccc1C T26037
C\C=C\c1cc2O[C@@H](C)[C@H](O)C(=O)c2c(=O)o1 T26038
CN(C)Cc1ccc(CSCCNC(=O)c2cccn(=O)c2)o1 T26039
CCn1c2ccccc2[nH]c1=O T2604
OC(=O)CN(CC(O)=O)c1sc(C(O)=O)c(CC(O)=O)c1C#N T26041
C\C=C\[C@@H]1O[C@@H](C[C@@H](O)[C@@H]1C)[C@H](O)\C=C\C=C(/C)C[C@@H](C)\C=C(\C)/C=C/[C@H]1CC=CC(=O)O1 T26042
CN1c2[nH]nc(C)c2N(c2ccccc2)C(=O)CC1=O T26045
CC(N(C1)CC(NC1=O)=O)CN(C2)CC(NC2=O)=O T26046
C[C@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 T26047
Br.OC(CNCCBr)Cn1ccnc1[N+]([O-])=O T26049
Cl.CC(CCN1CCCCC1)c1ccc(cc1)-c1ccccc1 T26050
CCC(C)c1cccc(OC(=O)N(C)Sc2ccccc2)c1 T26051
CC1(C)CCC(C)(C)c2cc(C(=O)\C=C(\O)c3ccc(cc3)C(O)=O)c(O)cc12 T26053
O.CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 T26054
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@@H](C[C@H](O)[C@]5(C)CC[C@@]34C)C(=O)OC)[C@@]1(C)CCC(=O)C2(C)C T26055
C\C(CO)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/c1ccc(C)c(C)c1C T26058
COC1=C(C)C(=O)c2ccnc(COC(=O)C(\C)=C/C)c2C1=O T26059
NC(=N)c1ccc(C=C2c3ccccc3-c3ccccc23)cc1 T26060
CCC1(C(=O)NC(=O)NC1=O)C1=CC2CCC(C2)C1 T26061
CCC\C=C\C=C\C=C(/C)[C@H]1OC[C@@H](C)[C@@H](OC)[C@@H]1OC(=O)CN T26064
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(O)=O)Cc1ccccc1 T26065
CCOCCON(CC(O)=O)C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC T26066
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(O)=O)N1CCCC1 T26067
COc1ccccc1N1CCN(CCCCOc2ccc(cc2)-c2cn3ccsc3n2)CC1 T26069
CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 T2607
COC(=O)C1(C)CN(N=C1c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)C(F)(F)F T26070
COc1cc(OC(C)=O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(C)=O)c1)c(OC(C)=O)c2=O T26071
COC(=O)[C@@]12C=Nc3ccccc3[C@]11CCN3C\C(=C/C)[C@H]2C[C@@H]3C1=O T26072
CC1CN(CC=C)C(C)CC1OC(=O)c1ccccc1 T26073
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](\C=C/CP(O)(O)=O)C(O)=O T26074
Cc1cc2occ(CC(N)=O)c2cc1Cl T26077
O=C(C1CCC1)NC2=CC3=C(NN=C3)C=C2 T26078
Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O T2608
OC(CNCCNc1cn[nH]c(=O)c1Cl)COc1ccccc1Cl T26081
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2\C(=C\C#N)c2ccccc12 T26085
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)S(=O)(=O)c1ccccc1 T26086
Cc1cc(COc2ccc(Oc3ccc(Cl)cc3)cc2)n(O)c(=O)c1 T26087
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1OC(F)F)C(=O)OC T26089
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1 T2609
CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO T26090
COc1ccc(CCNC(=O)c2c(O)cccc2O)cc1 T26091
CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 T26092
C[C@H](NCCc1cc(C)c(OCC(O)=O)cc1C)[C@H](O)c1ccc(O)cc1 T26094
CNCC/C=C/C1=CC=CN=C1.O=C(O)C(O)=O T26096
COc1cc2c(NC(=O)C3CCC(O)N3C2=O)cc1O T26097
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)[C@@H]1CC=CC2=C1c1c3C=NC=c3c3C4=CC(=O)CCC4=Nc3c1=N2 T26098
[H][C@@]12CC[C@H](OC)N1C(=O)c1cc(OC)c(O)cc1N[C@H]2O T26099
Cl.[O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1 T26100
CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCCCCCn1cnc2c1nc[nH]c2=O)C(O)=O T26101
COc1c2N3CC4NC4C3(OC)C(COC(N)=O)c2c(O)c(N=O)c1C T26102
COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(=O)NC(C)(C)CO)cc12 T26103
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(cc1)-c1ccccc1 T26104
CC(C)C[C@H]([C@H](C\C=C\c1ccccc1)C(=O)NO)C(=O)NN(CC(C)C)S(C)(=O)=O T26105
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F T26106
NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T26107
Cc1cc(ccn1)C(\C[C@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)=N/O T26108
CCc1ccc(Nc2c(F)c(F)cc(F)c2F)c(CC(O)=O)c1 T26109
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1 T26110
CCN(CC)CC(C)OC(=O)C1CCCCC1(O)C1CCCCC1 T26112
CC[C@@]1(CCC(=O)NC1=O)c1ccncc1 T26114
O=C(NC1CC1c1ccccc1)C1CCC(=O)N1 T26117
Cc1nc(oc1COC(C)(C)C(O)=O)-c1ccc(Cl)cc1 T26118
Fc1cccc(Br)c1NC1=NCCN1 T26119
CCCCCCCCCCCCC(CCCN(C)CCc1ccccc1)(C#N)c1ccccc1 T26120
Oc1ccc(\C=C\CC#Cc2ccc(O)c(O)c2)cc1O T26121
Cc1cccc(\C=N\N2CCN(CC2)C(c2ccccc2)c2ccccc2)n1 T26122
Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 T26126
Cn1cc(C(O)=O)c(=O)c2cc3cc(F)c(cc3nc12)N1CC(C)(N)C1 T26129
CC(=O)OC(Cn1cc(nc1C)[N+]([O-])=O)Cn1cc(nc1C)[N+]([O-])=O T26130
Oc1ccc(cc1O)C1(CCCCCCC2(C3CCCN23)c2ccc(O)c(O)c2)C2CCCN12 T26131
[O-][N+](=O)c1cccc(c1)-c1nn(Cc2ccncc2)c(=O)c2cccnc12 T26132
[H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O T26134
Cl.[H][C@@]12CCC[C@@]3([H])[C@H](N)Cc4c(n(C(=O)C1)c1cccc(O)c41)[C@@]23[H] T26136
N#Cc1ccc(Nc2ncnc3CCCc23)cc1 T26137
COC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)SC2 T26138
Cl.CC(C)CCCCNC(=O)c1cnc(OCC(O)CNC(C)(C)C)s1 T26139
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 T2614
COC(=O)CCC=C=CCC1C(CCC1=O)\C=C\C(O)COc1ccccc1 T26141
COc1cc(O)ccc1N1CCN(CC1)C(=N)Nc1cc(Cl)cc(Cl)c1 T26142
COC(=O)NC1=NC(CN1)c1c(Cl)cccc1Cl T26143
Cl.Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O T26144
Cl.[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1)N2C T26145
CCCN(CCc1cccc(O)c1)CCc1cccc(O)c1 T26146
[H][C@@]12CC[C@](O)(C#C)[C@@]1(C)C[C@H](c1cccs1)C1=C3CCC(=O)C=C3CC[C@@]21[H] T26147
CN1Cc2c(ncn2-c2ccccc2C1=O)C(=O)C1CC1 T26149
Cl.CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl T2615
CCOC1CCC(=O)N1S(=O)(=O)c1ccccc1 T26150
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])O[C@H](CSC)CN2C T26151
[H][C@]12CC[C@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 T26152
Nc1nc(cs1)C(=N/OC1(CCC1)C(O)=O)\C(=O)N[C@H]1[C@@H](CF)N(C1=O)c1nnn[nH]1 T26153
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](c3ccc(OCCN(C)C)cc3)[C@@]21[H] T26154
[H][C@@]12CCCN3CCc4c(n(C=C1)c1cc(C)ccc41)[C@]23[H] T26155
CC1(C)N(CC#N)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F T26156
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1 T26157
[H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](c1ccc(OCCN(C)C)cc1)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] T26158
CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO T2616
COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C\C=C(\C)CCC=C(C)C T26166
CCCCCC(=O)C1=C2C=C3C=C(NC=C3C(=O)[C@]2(C)OC1=O)\C=C\C T26167
Oc1cc2C(=O)c3c(O)c(O)c(O)cc3C(=O)c2c(O)c1O T26168
Cc1ccc(F)c(c1)C1=NCCN1 T26171
CCCN(CCC)c1ncnc2n(ncc12)-c1ccc(C)c(C)c1 T26172
Cl.CC(CCc1ccc2OCOc2c1)NN T26173
CCOC(=O)C1=C(N2CCCCC2)C2(CC1=O)N1C=CC=C(C)C1=NC2=O T26174
CC(OC(=O)c1c(C)cccc1O)c1cccc2nc3c(cccc3nc12)C(O)=O T26176
N[C@@H](CCSC[C@@H]1C[C@@H]([C@@H](O)C1O)n1cnc2c(N)ncnc12)C(O)=O T26177
Cn(/C(ccn1[C@H]2[C@H](O)[C@@H](O)[C@@H]([C@@H](O)[C@@H](NC([C@@H](N)CO)=O)C(O)=O)S2)=N/C(N)=O)c1=O T26178
Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C T2618
NCC[Se]C[C@H](N)C(O)=O T26183
Cl.NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 T26184
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)C(O)=O)c2c1 T26186
CCOCCOCCOC(C)Oc1ccc2OCOc2c1 T26187
OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1 T26188
CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 T2619
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](C=C[C@@]34CC(O)=O)[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T26191
ClCC(=O)Nc1ccc2nc(SCC(=O)NCc3ccccc3)sc2c1 T26193
COc1cccc(c1)-c1ccc2c(N)c(sc2n1)C(N)=O T26194
[O-][N+](=O)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1ccccc1F T26195
Clc1ccc(N2CCN(CC2)C(=O)N2CCOCC2)c(Cl)c1 T26196
N[C@@H](CCSN=O)C(O)=O T26199
C\C=C/C=C/C(=O)NC[C@H](O)C[C@@H](N)CC(=O)NCCC(N)=N T26203
Cl.Cl.C\C=C/C=C/C(=O)NC[C@H](O)C[C@@H](N)CC(=O)NCCC(N)=N T26204
C\C=C\C=C\C(=O)NC[C@H](O)C[C@@H](N)CC(=O)NCCC(N)=N T26205
NC(=N)NCCN1CCC2(CC2)CC1 T26207
NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O T26209
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@]2(O)c1ccoc1 T2621
OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1 T2622
CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12 T26221
CC(N1CCN(CC2=CC=C(C3=CC=C(C(C(F)(F)F)(O)C(F)(F)F)C=C3)C=C2)CC1)=O.[H]Cl T26223
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12 T26224
O=C(Nc1nccs1)c1cccc2nc([nH]c12)-c1cccc(c1)N1CCOCC1 T26226
C=C([C@H]1C[C@@H](C(C)=C)[C@](C)(C=C)CC1)C T26227
Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)\C=C\C(=O)OC)ccc3O T26228
NC(=O)n1ccc2ccc(nc12)-c1ccc(CN2CCCCC2)cc1 T26229
COc1cccc(c1N)-c1cc(=O)c2ccccc2o1 T2623
Cl.Cl.NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1 T26230
CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O T26232
OC(C1=CC=CC=C1)COC(N)=O T26233
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](C[C@H](O)[C@@]34C)[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T26234
Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 T26235
CC(C)(C)NCC(O)c1ccc(O)c(CS(C)(=O)=O)c1 T26236
Cc1cccc2c1NC(=O)C2(c1ccc(OS(O)(=O)=O)cc1)c1ccc(OS(O)(=O)=O)cc1 T26237
C\C(=C/c1ccc(cc1)S(C)(=O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C T26238
FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1 T2624
Cl.Cl.Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 T26240
Cl.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C T26242
COc1ccc(OC)c(NC(=O)OC2CC3CCCC(C2)N3CCCCCCCCCCN)c1 T26245
CC(=O)O[C@@H]1[C@@H](N)[C@@H](OP(O)(O)=O)[C@@]2(CS[C@@](O)([C@H]1O2)C(N)=O)C(O)=O T26247
OC(=O)CC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 T2625
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T26250
COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 T26252
Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc23)cc1 T26253
[Na+].[O-]C(=O)CCC1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 T2625L
CC(C)C[C@H]1CN2CCc3cc(c(cc3[C@@H]2CC1=O)OC)OC.CS(=O)(=O)O T26260
Nc1nc(O)c2NC(CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n1 T26261
CCOC(=O)c1c(NC(=O)c2ccco2)sc2CCCCCc12 T26263
CCOC(=O)c1cn(c(n1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl T26264
COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2nc(C)cc(n2)N(C)C)cc1 T26265
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T26266
Cc1ccc(NC(=O)C23CC2\C(=N/O)c2ccccc2O3)cc1 T26267
Cl.CN(C)CCN1c2ccccc2SC(CC1=O)c1ccccc1 T26268
N[C@@H](CSS)C(O)=O T26269
Cl.Cl.Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1 T2627
CCC(=O)N(c1ccccc1)C1(CCN(CCc2cccs2)CC1)C(=O)OC T26270
OC(=O)C(S)c1ccccc1 T26271
NMKUPEWPVORTPC-UHFFFAOYSA-N T26273
C[C@@H](O)C(=[N+]=[N-])C(=O)OC[C@H](N)C(O)=O T26275
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O T26276
CNC(=N)NCCC[C@H](N)C(O)=O T26277
N[C@@H](CCCNC(NC)=N)C(O)=O.O=C(CC(C(O)=O)(O)CC(O)=O)O T26277L
CCC(CC)c1cc(C)nc2c(c(C)nn12)-c1sc(nc1Cl)N1CCOCC1 T26278
Cl.CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(C)C)c2c1 T26279
COc1ccc(cc1)C1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 T2628
Cn1c(N)c(C(=O)c2cc(nc3ccccc23)-c2ccccn2)c(=O)n(C)c1=O T26281
O=C(C1=C(NC(C2=CC=C(NC(C)=O)C=C2)=O)SC(NC3=CC=CC=C3)=N1)N T26282
Nc1nc(N)c2c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T26283
CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N T26284
COP(=O)(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1 T26285
CN(C)C1(CCN(CC1)[C@@H]1CCCC[C@H]1O)C(=O)Nc1c(C)cccc1C T26287
OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1 T26288
CN(C(=O)c1c(Oc2ccc(F)cc2)nc2ncccn12)c1ccc(Cl)cc1 T26289
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(NC2CCC(O)CC2)n1 T2629
CC(=C)[C@H]1Cc2cc(ccc2O1)C(C)=O T26290
CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C T26291
Cl.CNC(CC=C)Cc1cc(OC)c(OC)c(OC)c1 T26293
CCN(CC)CCOc1ccc(cc1)C(O)(Cc1ccc(Cl)cc1)c1ccc(C)cc1 T26296
N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O T26297
Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O T26298
COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C T2630
O=S1(=O)CS\C(=N/C(=S)N(c2ccccc2)c2ccccc2)N1c1ccccc1 T26303
CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O T26304
CCCCNC(=O)Oc1ccc(OCc2ccccc2)cc1 T26311
CC1CC(CC=C)(C(O)=NC(O)=N)C(=O)O1 T26313
CC(C)[C@H](NC(=O)c1cc(Cl)c2C[C@@H](C)OC(=O)c2c1O)C(O)=O T26314
C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(O)=O T26315
CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(cc12)C(=O)c1ccccc1 T26316
CN1C2CCCC1CN(C2)\N=N\c1ccccc1 T26317
COC(=O)c1ccccc1\N=C\C(C)Cc1ccc(cc1)C(C)(C)C T26318
[H][C@]12N3CCC[C@@]1(CC)C[C@H](O)n1c2c(CC3)c2ccccc12 T26319
Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1 T26322
Oc1cccc(C=C2c3ccccc3C(=O)c3ccccc23)c1 T26323
Cn1c2ncn(Cc3ccc(cc3)C(C)(C)C)c2c(=O)n(C)c1=O T26324
CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc23)nnc1-c1ccco1 T26325
Cl.O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cnc2ccccc2c1 T26326
Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1F)C#N T26327
O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1 T26328
C[C@H](O)CCC(=O)C[C@H](N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O T26329
CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F T2633
CS(=O)(=O)c1ccc(cc1)[C@H](O)[C@H](CO)NC(=O)C(Cl)Cl T26330
OC1CCN(CC1)c1nc2ccccc2nc1S(=O)(=O)c1ccc(Br)cc1 T26332
COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H](C)CN(C)C)c3nc21 T26339
CC(=O)c1ccc2oc3ncccc3c(=O)c2c1 T26341
CCC(C(O)=O)n1c2cc(F)c(F)cc2s\c1=N/C(=O)c1cccc(c1)C(F)(F)F T26342
COc1nc(nc(OC)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCN(C)CC1 T26343
Cl.F\C(COc1ccc2c(c1)[nH]c1ccccc21)=C1\CN2CCC1CC2 T26345
Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O T26346
O=C(C1=CC=C(NC(/C=C/CN(C)C)=O)C=C1)NC2=CC(NC3=NC(C4=CC=CN=C4)=CC=N3)=CC=C2 T26349
CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1 T2635
Cl.CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 T26350
N[C@@H](CCCNC(N)=N)C(O)=O.C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1 T26351
CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1 T26353
CCCC(CCC)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 T26356
O=S(C1=C2C=CC=CC2=CC=C1)(NC(S/C3=C\C4=CC=C(Br)C=C4)=NC3=O)=O T26357
[H][C@@]12C[C@@]3(O)N(C)C(=O)N[C@@]3([H])[C@]1([H])NC(=O)c1ccc(Br)n21 T26358
CC(C)N[C@@H]1CCc2c(CO)c(O)ccc2[C@H]1O T26359
Cl.CC(C)N[C@@H]1CCc2c(CO)c(O)ccc2[C@H]1O T26359L
CC[C@](C)(C(=O)NCC(F)(F)F)Nc1nc(ncc1)c1c[nH]c2c1cccn2 T2636
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O T26360
Cl.Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O T26360L
OS(O)(=O)=O.[H][C@]12CC[C@]([H])([C@H](\C=N\OC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C T26361
OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])([C@H](\C=N\OC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C T26361L
"Acetamide, T26362
CCn1nnn(CCN2CC[C@H]([C@@H](C)C2)N(C(=O)COC)c2ccccc2F)c1=O T26362L
CS(O)(=O)=O.C([C@@H]1CCCc2c3OCOc3ccc12)N1CC[C@@H](C1)c1ccccc1 T26363
C([C@@H]1CCCc2c3OCOc3ccc12)N1CC[C@@H](C1)c1ccccc1 T26363L
[H][C@]12CC[C@]([H])([C@H](COC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C T26364L
N[C@@H](Cc1ccccc1CN(CCCl)CCCl)C(O)=O T26365
Cl.N[C@@H](Cc1ccccc1CN(CCCl)CCCl)C(O)=O T26365L
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O T26366
O.O.[Na+].CC12CCC3C(CC=C4CC(CCC34C)OS([O-])(=O)=O)C1CCC2=O T26366L
NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F T26368L
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1 T26369
[H][C@@]12CC[C@H]([C@H](C)CCC[C@H](C)C(O)=O)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])CC(=O)CC[C@]12C T26370
C([C@H]1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12 T26373
N[C@@](CF)(Cc1cnc[nH]1)C(O)=O T26374
CCN1CCC[C@H]1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC T26375
CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T26376
[H][C@@]12[C@@H](CCOC)C[C@H]3CN1CCc1c([nH]c4ccccc14)[C@@]2(C3)C(=O)OC T26377
OCc1cn(Cc2ccccc2)c2ccccc12 T26378
C[C@H](c1cc2cccnc2cc1F)n1cnc2ncc(nc12)-c1cnn(C)c1 T26379
Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)[nH]n1 T2638
OC(=O)C(F)(F)F.CP([O-])(=O)OCCN T26380
CCCCCCCc1ccco1 T26381
CC(=O)c1cc(O)c2ccccc2c1O T26382
[Cl-].N\C(NC(=O)c1nc(Cl)c(N)nc1N)=[NH+]/Cc1ccc(Cl)c(Cl)c1 T26383
C[C@@H](N)[C@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)[C@@H](O)[C@@H](O)[C@H]([C@H]2O)N(C)C(=O)CN)O1 T26384
O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CCCCC1 T26385
Br.CCCN(CCc1ccc(N)cc1)C1CCc2c(O)cccc2C1 T26387
Clc1ccc(cc1)-c1c[nH]cn1 T26388
NNC(=O)c1ccc(N)cc1 T26389
S1C(=N[C@](CC1)(C)c1c(cc(c(c1)c1cncnc1)F)F)N T2639
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C T26390
CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O T26391
FC(F)(F)c1cc(c2ccc3nnc(-c4ccccc4)n3c2n1)C(F)(F)F T26392
COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 T26393
OC1O[C@@H](C#C)[C@@H](O)[C@@H](O)[C@@H]1O T26394
NC(Cc1cc(O)c(O)cc1O)C(O)=O T26396
COc1cccc2C(=O)c3cccc(O)c3C(=O)c12 T26397
CC1(C)[C@@H]2C=C[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O T26398
Cn1cnc2nc[nH]c(=S)c12 T26399
Cn1c2ccc(CNC(C)(CO)CO)cc2c2c1ccc1ccccc21 T26400
Cc1c2[nH]c3ccc(O)cc3c2c(C)c2cnccc12 T26401
CN(C)C(=S)NNC(=S)N\N=C(/C)c1ccccn1 T26402
COC(C(C)O)C(O)C(=O)CC1(C)C=COC1(C)C(C)(C)C=C T26403
CCOC(=O)C(CC(C)=C(Cl)Cl)C(C)=O T26407
CCOC(=O)C(Cl)C(C)=O T26408
COc1cc(\C=C\C(=O)NC(C)(C)C#C)cc(OC)c1OC T26409
C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(O)=O)C(=O)\C=C\C(=O)O1 T26410
CNCC(=O)N(C)[C@H]1[C@@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@@H]1NC1=N[C@@H]2[C@H](N1)[C@H](O)CNC2=O T26411
Oc1ccc(cc1)C1c2ccccc2Oc2ccccc12 T26412
Cl.COc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1 T26413
COC1c2cc(Cl)c(O)cc2ON2C(=O)C3NC(=O)C12SS3 T26414
CN(C)[C@@H]1CC[C@]2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 T26415
OC(=O)c1cccc2oc(nc12)-c1cccc(O)c1NC(=O)c1ncccc1O T26416
Cl.Cl.Cc1ccccc1N1CCN(CCCn2c3CCCCCCc3c3ccccc23)CC1 T26417
CN1CC2CCc3c(O)c(O)ccc3C2C1 T26419
CC(C)C[C@H](N(CC(=C)P(O)(O)=O)C(=O)CN)C(N)=O T26420
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCCCc1ccc(N)cc1 T26421
OC(=O)CCc1cc(O)c2CCC(C(O)=O)n2c1=O T26422
OC(=O)CCc1cc(O)c2CCCC(C(O)=O)n2c1=O T26423
CN(CCc1ccc(cc1)-c1ccccc1)CC1CCCc2cc(O)ccc12 T26424
Cl.NC1CCCN1c1c(F)cc2c3c1oc1ccccc1n3cc(C(O)=O)c2=O T26425
CC(N(O)C(C)=O)c1ccc(OCc2ccccc2)cc1 T26427
CCCCCC(C)(C)NC(=O)CN T26428
Fc1cc2c(c(F)c1N1CCNCC1)n(C1CC1)c1s[nH]c(=O)c1c2=O T26429
CC(C)c1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 T2643
NC1CCN(C1)c1c(F)cc2c(c1F)n(C1CC1)c1s[nH]c(=O)c1c2=O T26430
NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1 T26432
COc1cc2CCN(C)C(Cc3cc(OC)c(OC)cc3Br)c2cc1O T26433
[3H]c1nc2c(nc(N)[nH]c2=O)n1[C@H]1C[C@@H](CO)[C@@H]1CO T26434
Cl.CCCCNC(=O)[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(C)C T26435
Cl.NC1CCN(C1)c1nc2n(cc(C=O)c(=O)c2cc1F)-c1ccc(F)cc1F T26436
Cc1cn([C@@H]2O[C@H](CO)[C@H]2CO)c(=O)[nH]c1=O T26438
O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 T2644
CC(C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O T26447
C[C@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O T26448
Cl.C[C@H]1C[C@H](N)CN1c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F T26449
c1(c(cc(cc1)[C@H](CNCCCCCCOCCOCc1c(cccc1Cl)Cl)O)CO)O T2645
CN\N=c1\[nH]nc(-n2nc(C)cc2C)c2[nH]c3ccccc3c12 T26452
CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O T26453
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)N1CCCNCC1 T26457
N[C@@H](CC[C@@H](N)C(O)=O)\C=C1/O[C@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 T26458
OB(O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 T2646
Oc1c(Br)cc(Cl)cc1Sc1cc(Cl)cc(Br)c1O T26460
Oc1c(Sc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 T26462
C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1 T26463
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 T26464
[K+].CC1=C(N2C(SC1)C(NC(=O)C(O)c1ccccc1)C2=O)C([O-])=O T26465
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1 T26466
Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O T2647
CC1=C(C)C(=O)C(CCCCC#CCCCC#CC(O)=O)=C(C)C1=O T26470
CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21 T26472
CC(C)C(=C)CC[C@@H](C)[C@H]1CCN=C2C3=C(CC[C@@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1CC3 T26473
N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12 T26475
CCC[C@](C)(OC)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O T26477
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 T26478
CC(C)=C([N+]#[C-])C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)C([N+]#[C-])=C(C)C T26479
CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 T26480
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1cnc2ccccc2c1 T26483
CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 T26485
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O T26486
Cl.Cl.C(Oc1cccnc1)[C@@H]1CCN1 T26489
CCCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 T2649
OC(=O)C1Cc2c(O1)c(Cl)cc1c(noc21)-c1ccccc1 T26490
CCCCn1c2nn(C(=O)OC)c(NC)c2c(=O)n(CCC)c1=O T26491
C[C@@H]1[C@H]2C=C([C@@H]3COC(=O)[C@](O)(CCl)[C@@]23C=C1C)C(O)=O T26492
COC1=C(OC)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O T26493
CC(C)(O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 T26495
Cc1noc(C)c1CCn1nnc(c1CCl)-c1ccc(OC(F)(F)F)cc1 T26496
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O T26497
CCOP(=O)(N1CC1(C)C)N1CC1(C)C T26498
COc1ccc(cc1)C1OCC2OC(OC3C(O)CNC13)C(O)C2O T26499
OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br T2650
COc1ccc(cc1)C1OCC2OC(OC3C(O)CNC13)C(OC(=O)CCCCC(C)(C)O)C2O T26500
COc1ccc(cc1)C1OCC2OC(OC3C(O)CNC13)C(OC(=O)CCC(C)C)C2O T26501
CCCCCn1cc(C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc12 T26503
CCOC(=O)NOP(=O)(N1CC1(C)C)N1CC1(C)C T26506
COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1 T26507
Cl.OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O T26508
[H][C@@]12C[C@H](O)CN1C(=O)c1ccccc1N[C@H]2OC T26509
O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O T2651
COc1ccc2[nH]c(SCc3ccc(C)cc3)nc2c1 T26510
Cc1cc(ccc1-c1ccc(F)cc1F)S(=O)(=O)NCCCCO T26512
Cc1cc(ccc1-c1ccc(F)cc1F)C(O)CCCCCO T26513
OCCCCOC(=O)c1ccc(cc1)-c1ccccc1 T26514
COCc1nc(cc2c3cc(OCc4ccccc4)ccc3[nH]c12)C(=O)OC(C)C T26515
O=C(O)[C@@H](N)CCCCB(O)O.[H]Cl T26516
[H][C@@]12CCN=C3C=C\C(=C/C)[C@@]13O2 T26517
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)CC1(CCCC1)C(O)=O T26518
O=C(C1CCC2=CC(C(C)=O)=C(OCCCCCOC3=CC=C(C(C)=O)C(O)=C3CCC)C=C2O1)O T26519
CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 T26520
COC(=O)C1(CC1)OC(=O)c1cncn1[C@H](C)c1ccccc1 T26521
COC1=C(OC)C(=O)C(=CC1=O)[C@H]1COc2cc(OC)c(OC)cc2C1 T26523
[H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 T26526
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O T26528
CN1CCC[C@H]1c1cc(C)no1 T26529
CN1C\C=C\CCOc2cccc(c2)C2=CC=N\C(N2)=N\c2cccc(C1)c2 T2653
OC(=O)CCC(O)=O.CCCN1CCC(CC1)c1nc2c(cccc2[nH]1)C(N)=O T26530
CC(C)(O)CCOc1c(cnn(-c2ccc(F)c(F)c2)c1=O)-c1ccc(cc1)S(C)(=O)=O T26531
Cn1c(ncc1[N+]([O-])=O)C(O)c1cc(ccc1O)C(C)(C)C T26532
COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)c1ccc(OP(=S)(OC)OC)cc1 T26533
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@H](O)[C@H]2NC(N)=N)[C@H](O)[C@@]1(O)CO T26534
Clc1ccc(CC(=O)OCCN2CCCC2)cc1Cl T26535
Oc1ccc(cc1)C1(CCC(F)(F)CC1)c1ccccc1F T26537
CN(C)\N=N\c1ccc(NC(C)=O)cc1 T26538
OC1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 T26539
Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 T2654
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 T26541
CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1 T26542
Cl.COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1 T26543
[H][C@@]12CC[C@]3([H])[C@@](C)(CCC[C@@]3(C)C1=CC[C@@](C)(C2)C=C)C(O)=O T26545
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](O)[C@@H](OC(=O)C(C)C)\C(C=O)=C/CC\C(C)=C\2 T26546
CC(=O)NCCCN1CCN(CC1)c1cc(Cl)ccc1Cl T26547
CCCCCCCC(O)C1=CC(C)OC1=O T26548
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 T26549
CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C T26551
CC(=O)OCC(=O)Nc1cc(cc(NC(=O)COC(C)=O)c1Cl)C#N T26555
CCN(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 T26557
COc1ccc2ncc(F)c(C[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1 T26558
COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1 T26559
CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12 T2656
Cl.CNC(C)CC12CC3CC(CC(C3)C1)C2 T26561
Cc1c(noc1C(F)(F)F)-c1ccc(s1)C(=O)N1CCC(O)CC1 T26562
NC(=O)C12NC(Cc3ccccc13)c1ccccc21 T26564
[H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])C[C@H]1c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 T26565
Cl.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(O)c1 T26566
Cc1nc(nc2ccc(NC(=O)COc3cccc(Cl)c3)cc12)N1CCCC1 T26567
CN1CCc2cc(c(O)cc2[C@H](C1)c1cccc2CCOc12)[N+]([O-])=O T26568
COc1nn(-c2ccc(F)c(NC(C)=O)c2)c(=O)n(Cc2ccc(Cl)c(F)c2)c1=O T26569
CCc1nc2c(CC(CC2=O)c2ccc(C)cc2C)o1 T26570
Nc1nc(=O)c2S[C@@H](CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 T26572
Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1 T26573
CC(C)Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F T26575
Cc1nc2cc3nc(cnc3cc2n1C)-c1cccs1 T26576
CCCCCC(O)c1ccc(cc1)C1CCC(=O)C1CCCCCCC(O)=O T26578
O=C1C=CC(=O)N1c1ccc(cc1)N1CCOCC1 T26579
Cl.COc1ccc2[nH]c(nc2c1)-c1ccccn1 T26580
Fc1cc(Cl)cc(c1)-c1cc(nn1-c1ccc(F)c(Cl)c1)C(=O)N1CNC(=O)C1 T26581
N[C@H](CC1CCCCC1)C(=O)N[C@H](CCC(O)=O)C(=O)NCC(O)=O T26582
[H][C@]12CC(=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC)C(O)=O T26584
CCOc1ccccc1C(=O)N1CCN(CC1)c1cccc(Cl)c1 T26585
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12 T26586
N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)N(CC=C)[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O T26587
Cn1c2nc[nH]c2c(=O)n(CCCCC(C)(C)O)c1=O T26589
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 T2659
[H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C T26592
COC(CCNCC=C)(c1ccccc1)c1ccccc1 T26593
Oc1cccc(CC=C)c1O T26596
CNC(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1 T26597
Cl.Cl.C(CNC[C@H]1CCc2ccccc2O1)CNC1=NCCCN1 T26598
[Cl-].C[N+](C)(C)CCOC(=O)CCCC[C@@H]1CCSS1 T26599
Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O T2660
CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 T26600
C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O T26601
[H][C@@]12C[n+]3ccc4c([n-]c5ccccc45)c3C[C@]1([H])C(=CO[C@H]2C)C(=O)OC T26603
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCn1nnc(n1)C1=CCCN(C)C1 T26604
O=S(CCCCCN=C=S)C T26605
CNC(=O)c1c(-c2ccccn2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N T26607
CNC(C1=C(C2=NC=CC=C2)C([C@H](C)NC3=NC=NC(N)=C3C#N)=NC4=CC=CC(F)=C14)=O T26608
CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 T2661
[H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC T26611
O.NC(=N)NN=C1C=CC(C=C1)=NNC(N)=S T26613
NC(NN=C(C=C1)C=CC1=NNC=NN)=S T26613L
CCCCN(CCCC)C(C(N)=O)c1ccc(OC)cc1 T26614
Nc1nc(N)c2ncn([C@H]3CO[C@@H](CO)O3)c2n1 T26615
CCNc1nc(NC(C)C)nc(SC)n1 T26616
[H][C@@]12CC[C@@]([H])(C1)[C@H](C2)NC1=NC(=O)[C@@](C)(S1)C(C)C T26617
CC(C)Cc1ccc(cc1)C(C)C(=O)NCCO T26618
N#CNC1=NN=CS1 T26619
Clc1cccc(Cl)c1C(=O)NCc1ccc2OCOc2c1 T2662
Cl.COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O T26620
CCNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N[C@H](CC)Cc3sccc3Cl)ncnc12 T26621
Cl.Fc1cc(F)c(OCc2ccccc2C2CCNCC2)c(F)c1 T26622
CC(=O)c1cccc(NC(=O)N2CCC(Cc3ccc(cc3)-n3cccc3)CC2)c1 T26623
Cc1ccc(cc1Cl)B(OC(=O)c1ncccc1O)c1ccc(C)c(Cl)c1 T26624
Cl.NCc1ccc(Oc2ccc3COB(O)c3c2)c(Cl)c1 T26626
O=C(Nc1ccc(cc1)-c1nnn[nH]1)c1ccc(cc1)-c1nnn[nH]1 T26628
Cl.Cl.COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 T2663
COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C T26630
CCN(CC)CC\C(=N\OC(=O)Nc1ccc(OC)cc1)c1ccccc1 T26631
COc1ccc2c(c1)n(CC#N)c1c(C)nccc21 T26632
Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 T26635
Nc1nc2[nH]c(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 T26636
Cl.C[C@H]1COc2c(N3CCN(C)CC3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O T26638
CN(C)C(=[Se])N\N=C(/C)c1ccccn1 T26639
Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O T2664
COc1ccc(cc1OC)C(=O)NC(=S)Nc1cccc2nc(C)ccc12 T26640
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC T26641
CN(C)CCCOc1c(Br)cc(CCN(C)C)cc1Br T26643
CCc1cccc(c1)N(C)C(=N)Nc1cccc2ccccc12 T26645
Cc1ccc(cc1)-c1ccc(O[C@H]2CN3CCC2CC3)cn1 T26646
CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl T26647
O[C@H]1[C@H](O)[C@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O T26648
Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 T26649
OC(=O)C(\Cc1ccccc1[N+]([O-])=O)=N\Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1 T2665
Cl.CN1C(=O)COc2c1cc(Cl)cc2C(=O)N[C@H]1CN2CCC1CC2 T26650
COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1 T26651
COc1cc(c(O)cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 T26653
[H][C@@]12CN(CN1c1c(NC2)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T26654
OC(=O)\C=C/C(O)=O.COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 T26655
CCO[C@@H](Cc1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)C(O)=O T26656
O=C([C@H]1N(C([C@@H](C2=CC(OC(F)F)=CC(Cl)=C2)O)=O)CC1)NCC3=CC=C(C(N)=N)C=C3 T26657
Cl.C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCCB1C(O)=O T26658
CC(C)[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@@H]1B(O)O T26659
CN(C(=O)CC1CCCC1)c1ccc(Cl)c(COc2cccc3cnccc23)c1Cl T26661
OC(=O)CCCC1CCN(CC1)c1nc(nc2CS(=O)(=O)Cc12)C1CCC1 T26662
C[C@@H]1CCCN1Cc1cc(ccc1-c1ccccc1)C(=O)Nc1ccc2CCC(=O)N(C)c2c1 T26663
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N T26664
CC[N+]1(CC)CCCN(CC1)c1ccccc1 T26666
CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O T2667
CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC T26671
CC(C)[C@@H](CN1CCC(CC1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 T26673
COc1ccccc1\C(Br)=C(/NC(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)N1CCCCC1 T26674
Cl.O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 T26675
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 T26677
Oc1cccc2C(=O)C3C4CCC(C4)C3C(=O)c12 T26678
COc1cc(NCCNC(=O)\C=C\C(C)(F)F)ccn1 T26679
CCCn1c2nc([nH]c2c(=O)n(C2CC2)c1=O)-c1ccc(nc1)N(CC)C(=O)c1cccnc1 T26680
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC1=C(C(=O)c2ccccc2C1=O)n1cnc2ccccc12 T26683
Br.C1CN2C=C(SC2=N1)c1ccc(cc1)-c1ccccc1 T26684
Cl.OC(=O)CCNCc1ccc2sc(cc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F T26685
N[C@@H](CC(=O)c1ccc(Cl)cc1N)C(O)=O T26686
CCCCC1(O)C(=O)N(N(C1=O)c1ccc(O)cc1)c1ccccc1 T26687
Cl.Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O T26688
COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1 T26689
Cl.CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 T26690
Cl.CNc1nn2c3CCN(C)Cc3cnc2c1S(=O)(=O)c1ccccc1 T26691
CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CSCC(=O)C(F)(F)F T26693
OC1=CC=C2C(C(C(C(C3=C(Cl)C=NC=C3Cl)=O)=O)=CN2CC4=CC=C(F)C=C4)=C1 T26694
O=C1C2=CC=CC=C2N(C)C3=C(C=NC(N[C@H]4CC[C@H](O)CC4)=C3)N1C T26695
OC(=O)[C@H]1CC[C@H](CNc2nc3ccc(cc3s2)-c2ccn(CC3CC3)c(=O)c2)CC1 T26698
C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2[nH]c(=O)sc12 T26699
Cc1ccc(CNc2ncnc3ccc(cc23)-c2ccc(CO)o2)o1 T2670
Cc1ccc(cc1NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC2CNCC(C1)O2 T26700
CCC(C)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 T26701
O=C([C@@H]1CC=NN1C([C@@H](C2=CC=C(F)C=C2)O)=O)NCC3=CC(Cl)=CC=C3N4N=NN=C4 T26702
COc1ccc2nc(NCCCNCc3ccsc3)cc(C)c2c1 T26703
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC T26705
COc1cc(Nc2nc(COC3CCCC3)c3COCCc3n2)ccc1-n1cnc(C)c1 T26706
[H][C@]12CC[C@@]3(C)[C@@H](CC=C3[C@]1(C)[C@@H](C[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C)OC(C)=O)c1ccoc1 T26709
CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 T2671
CCCC1C(=O)N2N(C1=O)c1cc(C)ccc1N=C2N(C)C T26710
Oc1n[nH]c2CNCCc12 T26711
COC[C@H](C)Oc1cc(Oc2cnc(cn2)C(=O)N2CCC2)cc(c1)C(=O)Nc1cnc(C)cn1 T26712
COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl T26713
NC1N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F T26715
C[C@@H](CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1ccn(C)n1 T26718
Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N T26719
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1 T2672
C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)C(F)F)cc2)NC(=O)NC1=O T26720
CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)NC3CC3)c(=O)c2c1 T26721
CN(CCO)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12 T26722
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1 T26723
C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O T26725
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1N T26726
Cc1cnc(CS(=O)c2nc3ccccc3[nH]2)c(C)c1OCC1COC(C)(C)OC1 T26727
COCCOC1=C(N2CC2)C(=O)C(OCCOC)=C(N2CC2)C1=O T26728
N[C@@H](CCC(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O)C(O)=O T26729
Cl.Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl T2673
Cc1noc(C)c1Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 T26730
C1CCC(CC1)\N=c1\cc2n(-c3ccccc3)c3ccccc3nc2cc1Nc1ccccc1 T26732
CC\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 T26733
Clc1ccc2N(C3=CC(NC4CCCCC4)C(Nc4ccccc4)=CC3=Nc2c1)c1ccccc1 T26734
C1CCc2c(C1)sc1ncnc(N\N=C\c3c[nH]c4ccccc34)c21 T26735
Cl.CCN(CCO)CCn1c(Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 T26737
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC T2674
CCCCN(C(N)=S)C12CC3CC(CC(C3)C1)C2 T26740
CCOC(=O)C1=C(C)NC(=N[C@H]1c1ccc(F)cc1Cl)c1ncccc1F T26741
CCOC(=O)C1=C(C)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 T26742
OC(=O)[C@H](Cc1ccccc1)Nc1cc(ncn1)-c1ccc(OCc2ccccc2)cc1 T26745
CC(C)OC(=O)C1=C(N)NC(C)=C(C#N)[C@H]1c1cccc2ncc(cc12)-c1ccccc1 T26746
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C T26747
ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 T26748
N#CC(c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1 T2675
Brc1cccc(COc2ccc3CCC(=O)Nc3c2)c1 T26750
CCOC(=O)C1=C(CSCCNC=O)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC T26751
CN(C)c1ccc(\C=C\C=C2/C(=O)NC(=O)N(C2=O)c2ccccc2)cc1 T26752
O=C1NC(=O)\C(=C/C=C/c2ccccc2)C(=O)N1c1ccccc1 T26753
ClC1=C(Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)C(=O)c2ccccc2C1=O T26754
Fc1ccc(cc1)C(=O)NCC(=O)Nc1ccc(Cl)nc1Cl T26756
OC(COC1CN(C1)C(c1ccccc1)c1ccccc1)COc1cccc2[nH]c(cc12)C#N T26757
COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1 T26758
Oc1ccc(CCNCC2CCc3ccccc3C2=O)cc1 T26759
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 T2676
COC[C@H]1CN(C(=O)O1)c1ccc(OCC[C@@H](O)C(F)(F)F)cc1 T26761
Cl.CC(C)NCC(O)COc1cccc2cc(oc12)C(C)=O T26762
[H][C@]12C[C@H](c3ccc(F)cc3)[C@@]1([H])CN(CCn1c(=O)[nH]c3ccccc3c1=O)C2 T26763
[H][C@]12CN(C)CC[C@@]1(O)c1ccccc1Oc1c(C)cccc21 T26765
O=c1oc(OCCOCc2ccccc2)nn1-c1cccc(Oc2ccccc2)c1 T26766
[Cl-].COc1ccc2n(Cc3ccccc3)c(C)c(CC[NH3+])c2c1 T26768
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1cccc(O)c1O)C(O)=O T26769
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 T2677
[Br-].C[N+]12CCC(CC1)C(C2)OCC(O)(C1CCCC1)c1ccccc1 T26770
CN(C)CCOc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@H](CO)Cc2ccccc2)cc1 T26771
Cl.CNCC12CCC(c3ccccc13)c1ccccc21 T26772
O=C(NP(=O)(N1CC1)N1CC1)OCc1ccccc1 T26773
Cl.[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(O)=O)N2C T26774
Cc1nnc2CN=C(c3c4CC(Cc4sc3-n12)C(=O)N1CCOCC1)c1ccccc1Cl T26775
CSCCCCCN=C=S T26776
Cl.CCCN(c1ccncc1)n1ccc2ccccc12 T26778
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2CCCF T26779
CCn1nc(cc1Nc1nc(COC)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CC1 T26780
CCOc1ccc2C(=C3CCN(C)CC3)c3c(OC)cccc3Sc2c1 T26781
CCc1cc2cccc(OCC(O)CNC(C)C)c2o1 T26782
CC(C)NCC(O)COc1cccc2ccoc12 T26783
CC(=O)c1cc2cccc(OCC(O)CNC(C)(C)C)c2o1 T26784
C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T26785
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)C(=O)Nc1ccccc1N T26786
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1cccs1 T26787
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 T26788
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(C)cc1F T2679
CC(C)C1=CC2=CC=C3C(C)(C)CC(=O)O[C@@]3(C)CC2=C(O)C1=O T26790
[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)ncc1-c1ccc(cc1)C(F)(F)F T26791
CC(C)(C)OC(=O)NCCCCCCC(C(O)=O)c1c[nH]c2ccccc12 T26792
[Na+].COC[C@H]([N-]C(=O)c1ccc(N2CCOCC2=O)c(C)c1)c1nc2ccc(Cl)cc2[nH]1 T26793
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 T26794
Cl.CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1 T26795
Cn1cc(cn1)-c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1 T2680
NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 T26801
CC(C)c1cc(Cl)c(C)c(Cc2c(C)c(Cl)cc(C(C)C)c2O)c1O T26804
CC(O)(CO)[C@@H](O)C12NC(=O)[C@](O)(NC1=O)C(=C)CCO2 T26805
CS(O)(=O)=O.O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1 T26807
CC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)c2)cc1 T26809
CC(C)(O)c1nc(no1)-c1cccc(CNC(=O)c2cnc(nc2)-c2ccccn2)c1 T2681
COC1=CC(=O)c2c(O)c3c(oc4cc(OC)cc(C)c4c3=O)c(O)c2C1=O T26810
OC1=C(C)C=C(/C=C/C2=CC=C(F)C=C2)C=C1C T26811
Cc1cc(\C=C\c2cccs2)cc(C)c1OC(=O)CCC(O)=O T26812
Cc1ccc2n(cnc2c1)S(=O)(=O)CC(F)(F)F T26813
CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3cc[n+]([O-])c4ccccc34)cnc12 T26816
O=C1C=CC(C2=NC(S(=O)(C)=O)=NC(C(F)(F)F)=C2)=CN1CC3=CC=C(OC)C(OC)=C3 T26817
CN(C)CCN(C)n1cc(-c2ccccc2)c2ccccc12 T26818
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1 T2682
CN1OCC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O T26820
O=C(C1CCCN(Cc2cccc3cnccc23)C1)c1ccc2OCOc2c1 T26821
Cl.CCN1C[C@@H]2CN(C)C[C@H](C1)[C@H]2OC(=O)c1ccc(Cl)cc1 T26822
Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4nc[nH]c4c3=O)c(=O)c12 T26825
Cl.CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 T26826
[H][C@]12NCC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2 T26827
Cn1cc(cn1)-c1cccc2cc(ccc12)C(=O)NC(N)=N T26828
CC(C)(C)C(O)C(Oc1ccc(cc1)-c1ccccc1)n1cncn1 T26829
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccccc1 T2683
CCCCCOc1ccccc1NC(=O)OC(COC)CN1CCCCCC1 T26830
Cl.CN(CCC=C1c2ccccc2CCc2ccccc12)C(=O)CCCN T26835
OC(=O)\C=C/C(O)=O.CCn1c2ccccc2c2cc(CNCc3cccnc3)ccc12 T26836
c1cc2c(noc(-c3ccccc3)c2c1)-c1ccccc1 T26837
CCCCC[C@@H](O)\C=C\c1ccccc1\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC T26838
O=C1N2CCSC2(c2ccccc12)c1ccccc1 T26839
O=C(Nc1ccccc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 T2684
CN(C)CCCNc1nn2c(nc3ccccc3c2=O)c2ccccc12 T26840
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C T26841
CC1(C)Oc2c([C@@H]([C@H]1O)N1CCCC1=O)c(=O)n(Cc1ccccc1)c1ccccc21 T26842
Cc1ccc(O)c(c1)C(=O)NCC1(C)CCCC(C)(C)C1 T26844
CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O T26846
CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCc1ccncc1 T26847
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2ccccc12 T26848
CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 T26849
O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 T2685
Cl.[H][C@@]12C[C@]1([H])N(CC2)C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2 T26850
FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)\C=C\C1CC1 T26851
Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1 T26852
CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O T26853
CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3Cl)C(O)=O)ccc12 T26854
C[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O T26855
COC[C@H](C1CC1)n1cc(nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O)C#N T26856
CN(C)C(=O)CN1Cc2nc(C)c(CN)c(c2C1=O)-c1ccc(Cl)cc1Cl T26857
OC12CCC(CC1)(C2)c1nnc2c(Oc3ccccc3Cl)cccn12 T26858
Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 T26859
CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 T26861
C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CC[C@H]1CC2 T26862
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 T26864
C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 T26865
Cl.CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(CO)C1 T26867
COc1ccc(cc1Br)C1SCCN1S(=O)(=O)c1ccc(Cl)cc1 T26869
[Na+].COc1ccc2nc([n-]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C T2686L
COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2c1 T2687
COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(Cl)cc1 T26870
C[C@@H]1CCC[C@@H]2C[C@H](CCN12)NC(=O)c1cc(Cl)c(N)cc1O T26873
Cl.Cl.CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(CN)n1 T26878
COC(=O)c1c(C)nc(C)c2c1c1ccccc1[nH]c2=O T26879
Cl.CC1(C)C(=O)N(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)c2ccccc12 T2688
OC(=O)Cc1cs\c(=N/C(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O T26880
Nc1nc(cs1)C(=N\OC1(CC1)C(O)=O)\C(=O)N[C@@H]1[C@@H](CF)N(C1=O)S(O)(=O)=O T26881
Cl.[H][C@@]12CN(C[C@]1([H])[C@H](N)C=CC2)c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 T26883
OCc1cc(Nc2c3ccccc3nc3ccccc23)cc(OCCN(CCCl)CCCl)c1 T26884
CC(C)(O\N=C(\C(=O)N[C@H]1[C@@H](CF)N(C1=O)S(O)(=O)=O)c1csc(N)n1)C(O)=O T26885
O=C(NC1[C@@H]([C@@H]([C@@H](COC(C2=CC=C([N+]([O-])=O)C=C2)=O)O1)O3)OC3(C)C)N(CCCl)N=O T26886
N[C@@H](CC1=CC=C(B(O)O)C=C1)C(O)=O T26889
COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1 T2689
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C#N)CC1 T26890
O=C(NC1CCN(CC2=CC=CC=C2)CC1)C3=CC=C(Cl)C=C3Cl T26891
O=C1C=C(C2=CNN=C2)C=C/C1=C3C=CC(OC4CC(C)(C)NC(C)(C)C4)=NN\3.OS(=O)(C)=O T26893
CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1[C@]2(C)c1ccccc1 T26894
CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@]2(C)c1ccccc1)C(F)(F)F T26896
CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 T26897
COc1c(OC)cc(C=CC(Nc2c(C(O)=O)cccc2)=O)cc1 T2690
CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)C#Cc1cccc(F)c1 T26900
[H][C@]12Cc3ccc(O)cc3C(CC)(CCN1CC1(O)CC1)C2(C)C T26902
COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccccc2)CC1 T26903
OC(=O)\C=C/C(O)=O.CC1N(CC2=NCCN2)Cc2ccccc12 T26904
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCCC1=O)C(F)(F)C(F)(F)F T26905
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O T26906
O=C(N[C@H]1[C@H](N(C)C)CCCC1)C2=CC=C(Br)C=C2 T26908
[H][C@@]12Cc3c(Br)[nH]c4cccc(C1=C[C@@H](CN2C)NC(=O)N(CC)CC)c34 T26909
[H][C@@]12Cc3c(Br)[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 T26910
Brc1cccc(c1)-c1nnn(CCC(=O)N2CCCCC2)n1 T26912
Clc1ccc(cc1)[C@@]12N(CCN1C(=O)c1ccncc21)C(=O)c1cccnc1 T26914
[H][C@@]12CCCC(=O)[C@]1([H])[C@H](Cc1ccccc1)N(C)O2 T26915
CN(C)c1ccc(cc1)C1NC(=O)NC(C)=C1C(=O)Nc1cc(C)cc(C)c1 T26916
CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cnn(c1)-c1ccc(F)cc1 T26917
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)[C@](C)(O)C(C)(C)CC)ccc3O T26918
CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 T26919
Cl.CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N T26920
Cl.CCc1cccc2cc(oc12)C(O)CNC(C)(C)C T26921
Cl.CCCC(=O)N1CCCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 T26923
CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1 T26924
CCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC T26925
CCC(C(O)=O)c1ccc(CC(C)C)cc1 T26926
CCCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1 T26927
Cc1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2O)c1 T26929
CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O T2693
CCc1cccc2Oc3ccccc3S(=O)(=O)c12 T26930
NCCCNc1ccc2c(n1)nc(NCCCN)c1ccccc21 T26933
Cl.Cl.C[N]CCCCNc1c2ccccc2nc2cc(ccc12)[N+]([O-])=O T26934
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O T26936
CC(C)CC(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)Nc1cccc(C)c1C T26937
Oc1ccc(CCNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 T26938
CCOC(=O)NNc1ccc(nn1)N(CC)CC(C)O T26939
CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 T26940
O=C(O)CN1CCN([C@H](C2=CC=CC=C2)C3=CC=CC(C(F)(F)F)=C3)CC1 T26941
[H][C@]12C[C@]([H])(C(=O)C[C@@H]1c1c(O)cc(cc1OC(=O)\C=C\C(O)=O)C(C)(C)CCCCCC)C2(C)C T26942
Cl.Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12 T26944
CC(C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC3=CC=NC=C3)C(COC(N)=O)=N1)C T26946
CCC(C)C(CC)C(=O)NC(N)=O T26948
Brc1c(Br)c(Br)c2[nH]nnc2c1Br T2695
[Na+].CC1(C)SC2C(NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2C1C([O-])=O T26950
Cl.COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 T26952
OC(=O)C[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)Cc1cccc(Cl)c1 T26954
OC(=O)c1ccc(c(Cl)c1)-c1ccc2cc(O)ccc2n1 T26955
CCOC(=O)c1ccc(cc1)\N=N\c1ccc(O)c(CC(O)=O)c1 T26956
COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C(N)=O)c2cc1OC T26957
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ccccc1 T26958
O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ncccc2N1 T26959
Cl.N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 T2696
CC(Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 T26960
O=C(O)C1=NC=C(C(N2CCCC)=CC3=C2C=CC=C3Cl)C=C1 T26961
CC(C)CC(C=C1)=CC=C1C2=NC(C3=CC(F)=C(CN[C@@H]4C[C@H](C(O)=O)C4)C=C3)=NO2 T26962
CC(=O)Nc1cc(ccn1)-c1c(nc(n1C)S(C)=O)-c1ccc(F)cc1 T26964
O=C(O)C1=CC=CC=C1N2C=CC=C2 T26965
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](O)(CC[C@]12[H])C(F)(F)F T26966
FC1(F)CC(CN(C1)C(=O)c1cccc(c1)-c1ccncc1)C(=O)Nc1ccc(Cl)cc1 T26967
Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(Cl)cc1 T26968
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1 T26969
OC[C@H]1O[C@@H](N2CC[C@@H](O)NC2=O)C(F)(F)[C@@H]1O T26972
[H][C@]12SCC(CSc3c[nH]nn3)=C(N1C(=O)[C@H]2NC(=O)C(N)c1ccc(O)cc1)C(O)=O T26973
Cl.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O T26974
Cc1nnc2ccc(NCCC3=CCCCC3)nn12 T26977
COc1cccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c12 T26979
COC1(NC(=O)CCCC(N)C(O)=O)C2SCC(COC(N)=O)=C(N2C1=O)C(O)=O T26980
OC=O.C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O T26981
Cl.[H][C@@]12Cc3c(C)c4ccc(C)c(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(C)=O)=C(O)[C@@H]2N T26984
[H][C@@]1(O)CON(Cc2cn(nc2C)-c2ccnc(Nc3ccc4n(C)cc(C(=O)C5CC5)c4c3)n2)C1 T26985
CCCCCc1ccc(cc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 T26987
Cc1ncn(n1)-c1ccc(C(=O)NC2C3CCC2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 T26988
Oc1ccc(\C=C\C(=O)NC2CCCCC2)cc1O T26989
CCC1Cn2cc(nc2O1)[N+]([O-])=O T26990
CP(O)(=O)C[C@H](O)CN T26991
NCCCP(O)(=O)C(F)F T26992
C[C@@H](NC[C@H](O)CP(C)(=O)OC1CCCCC1)c1cccc(c1)C(O)=O T26993
COc1ccc(CP(O)(=O)C[C@@H](O)CN(C)[C@H](C)c2cccc(c2)C(O)=O)cc1 T26994
CCCN(CCC)\C=N\c1cccc(=O)[nH]1 T26997
C[C@H](NC[C@H](O)CP(O)(=O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 T26998
Cl.COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1 T2700
OC(=O)\C=C/C(O)=O.CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F T27000
O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1 T27001
Nc1nc(N)c2cc(CCc3ccc(cc3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)ccc2n1 T27002
CS(=O)(=O)CCCN=C=S T27003
NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21 T27004
OC(=O)c1cn(C2CC2)c2c(OC(F)F)c(N3CC4CCCNC4C3)c(F)cc2c1=O T27005
Cc1ncsc1CCCl.OS(=O)(=O)CCS(O)(=O)=O T27007
CC(C)c1noc(n1)N1CCC(COc2ccc(nc2)-c2ccc(cc2)S(C)(=O)=O)CC1 T2701
CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 T27010
CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 T27011
COc1cc(CCc2ccc(OC)c(OC)c2)cc(OC)c1O T27012
OCc1ccc(cc1)-c1n(Cc2ccccc2)nc2ccccc12 T27013
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CCCC[C@@H]1O T27014
C\C(=C/C(O)=O)C1CCCCC1 T27015
COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1 T27016
O=C(NC(NC1=CC=C(S(=O)(N(C)C2=CC=CC=C2)=O)C=C1)=S)/C=C/C3=CC=CC=C3OC T27017
Nc1ccc(cc1)S(=O)(=O)c1ccccc1F T27018
Clc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 T27019
Cc1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccccc3)sc2c1 T2702
Cc1nccn1C[C@H]1CC=C2C(c3cccc4CCCN2c34)C1=O T27020
OC(=O)\C=C/C(O)=O.CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1 T27022
NC1CCCC1C(O)=O T27023
Cc1cc(=O)c2COc3cc(O)c(O)c(C(O)=O)c3-c2o1 T27024
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(c1ccnn1C)c1ccccc1 T27025
O=C(C1(C2=CC=CC(SC3=CC=C(N4C=CN=C4C)C=C3)=C2)CCOCC1)N T27026
Cc1cccc(c1)C(=O)Nc1nc2ccccc2n1Cc1ccccc1 T27028
O=C(OC)C1=CC=C(N2N=NC(CCCOS(=O)(C3=CC=C(C)C=C3)=O)=C2)C=C1 T27029
O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1 T2703
[O-][N+](=O)c1cccc(c1)-c1nc2c([nH]1)c1cc(I)ccc1c1ccccc21 T27030
Cc1c([nH]c2cc(Cl)ccc2c1=O)-c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1 T27031
CC(C)n1cnc2c(NCCCCCCNC(=O)OC(C)(C)C)nc(NCCO)nc12 T27032
Oc1cc2CCN[C@@H](Cc3cccc4ccccc34)c2cc1O T27033
CCCc1nc2c(N)nc3ccccc3c2s1 T27034
Cl.Clc1ccc(cc1Cl)C12CC1CNC2 T27036
Cl.Fc1cc(cc(c1)C(F)(F)F)C(=O)NCCN1CCCCC1 T27038
COP(=S)(OC)\N=C1/OCCS1 T27039
CN(C)CCCc1cnc(C)c(Nc2ncc3CC(=S)Nc4cc(ccc4-c3n2)C(F)(F)F)c1 T2704
Nc1ncc(\C=C\CNC(=O)c2ccc[nH]2)[nH]1 T27040
OC(=O)C1CCc2cc(C3CCCCC3)c(Cl)cc12 T27041
CCCO[C@@H]1[C@@H](O)C(OCC)O[C@@H]1[C@@H](COCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1 T27042
CC1(C)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1 T27043
O=C(NCCN(CC)CC)COC1=CC=C(Cl)C=C1 T27044
OC(=O)\C=C\C(O)=O.COCCCC\C(=N/OCCN)c1ccc(Cl)cc1 T27047
CCC(O)(CC)CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO T27050
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(CC2CC(C2)C(=O)NO)ccc1OCC T27051
CO\N=C\Nc1nc2nccc([C@H](C)Oc3ccc(Cl)cc3C)n2n1 T27053
C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCCC[C@@H]1CCSS1)C(O)=O T27054
CSc1cccc(c1)N(C)C(=N)Nc1cc(SC)ccc1Cl T27055
N[C@@H](C(O)=O)CCSC[C@@H]1[C@H]([C@H](C(O1)N2C3=NC=NC(N)=C3C(C#N)=C2)O)O T27056
CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C T27057
CCc1ccccc1N1C(=O)N=C(O)\C(=C/c2ccc(o2)-c2ccc(F)cc2)C1=O T27058
CNS(=O)(=O)Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 T27059
COc1ccc(COc2cc3oc(=O)c4cc(ccc4c3cc2OC)C(C)O)cc1 T2706
Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 T27060
Cl.CC(C)CCOc1ccc(N)cc1 T27061
CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F T27062
[H][C@@]12CC[C@@H](COc3ccc(F)cc3)CN1CCN(C2)c1ncc(F)cn1 T27063
Clc1ccc(SCC(=O)Nc2nc(cs2)-c2ccccn2)cc1 T27064
[H][C@@]12CC[C@H](CO)C[C@@]1([H])[C@@H](C[C@H](O)C2)c1ccc(cc1O)C(C)(C)CCCCCC T27065
Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 T27066
CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F T27067
CC1CC(=O)Nc2ccccc2N1 T27068
Br.Cc1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N T2707
CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1C T27070
C[C@@H]1CC(=O)Nc2cccc(-c3nc(C)cn3C)c2N1 T27071
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(c3)C(C)(C)C)c2N1 T27072
COc1ccc(cc1OC)C(=O)\C=C\c1nccc2c3ccccc3[nH]c12 T27073
COc1cc(cc2OCCOc12)C(=O)NCc1c(C)cc(C)[nH]c1=O T27074
N[C@H]1C[C@H](CC1=C(F)F)C(O)=O T27075
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 T27076
CCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O T27078
NC(Sc1ccc(N)cc1)=C(C#N)c1ccccc1C(F)(F)F T2708
CCN(c1nc(C)cc(n1)N1CCC(=CC1)c1cccc(F)c1)c1ccc(cc1SC)C(C)C T27080
CN(C)C(=O)c1cc(NC(=O)c2ccc(C)cc2)cc(c1)-c1ccc(cc1)C(=O)NO T27081
CC(=O)c1cccc(NC(=O)c2c(C)c(C)sc2-n2cnnn2)c1 T27082
ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 T27083
OC(=O)c1cc(NCCc2ccc(cc2)C(F)(F)F)ccc1O T27084
CC(CO)(COS(C)(=O)=O)NCc1cc2c3ccccc3ccc2c2ccccc12 T27085
Cl.[H][C@]12Cc3c(O)cccc3[C@](C)(CCN1C[C@H](C)OCc1ccccc1)C2(C)C T27086
Cl.Cl.N[C@H](CNc1nc(nc2sc3CCCCc3c12)-c1ccncc1)Cc1ccccc1 T27089
[H][C@]12CCCCN1Cc1c(C2)c2cc(OC)c(OC)cc2c2cc(OC)ccc12 T27091
C[C@H]1C[C@@H]1Cn1c(C)c(C)c2cnnc(OCc3ccc(F)cc3)c12 T27092
CC(C)C[C@@H]([C@@H]1NCCCC1)C2=CC=C(Cl)C=C2.[H]Cl T27095
[2H]C([2H])([2H])C(c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H] T27098
O=C1N(NS(=O)(C2=CC=CC=C2)=O)C(S/C1=C\C=C\C3=CC=CO3)=S T27099
Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12 T2710
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 T27100
CCCCCCCC\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O T27103
O=C(C1=CC=CC=C1N2)N(C)[C@]3([C@@](O3)([H])C4=CC=CC=C4)C2=O T27104
[H][C@]12COC(=O)C1=C(C)O[P@](=O)(OC)OC2 T27105
Cc1ccsc1-c1ccc(o1)C(=O)Nc1c(C)cc(CO)cc1C T27106
Cc1cc(C(=O)Cn2cc(ccc2=O)C(F)(F)F)c(C)n1Cc1ccccc1 T27107
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C1CCCCC1 T27108
COc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OC T27109
CCC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 T2711
CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(=O)Nc1ccc(cc1)S(N)(=O)=O T27110
CC(=O)N[C@@H](CSC[C@@]1(O)[C@@H](O)CC2C(C)(C)CCC[C@]2(C)[C@H]1C\C=C(/C)C=C)C(O)=O T27111
[Na+].COc1ccc(cc1)C(=O)C(\Br)=C/C([O-])=O T27112
CCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O T27113
CN1CCN(CC1)c1nc(N)nc2c3ccc(Cl)cc3oc12 T27114
O=C(N1C[C@@H](C)NCC1)C2=NC3=CC=C(Cl)C=C3C(NC4=NNC(C5CC5)=C4)=N2 T27115
NC[C@H](O)c1ccc(O)cc1.CC1(C)C2CC[C@@]1(CS(O)(=O)=O)C(=O)C2 T27116
Cl.COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1 T27117
CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 T27118
Cl.Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O T2712
[H][C@@](N)(CCCCCP(O)(O)=O)C(O)=O T27120
[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(=O)OCC(CC)CC)Oc1cccc(Cl)c1-c1nnn[nH]1 T27123
[Na+].CCc1oc(nc1CCOc1ccc2C(CC([O-])=O)CCc2c1)-c1ccc(OC)cc1 T27124
Cl.Cl.C(Nc1ccc(cc1)-c1nc2ncccc2o1)c1ccccn1 T27126
OC(=O)\C=C/C(O)=O.NC1CCc2c(C1)ccc(Cl)c2Cl T27127
[H][C@@]12CCCN1Cc1c([C@@H]2O)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 T27128
Cc1nc(Nc2nc(=O)cc(CSc3nnnn3-c3ccccc3)[nH]2)nc2ccccc12 T27129
COc1ccc2nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1 T27130
O=C(OCC)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(N)=C1 T27133
NCC(CCN1CCC(=CC1)c1ccc(Cl)cc1)(C1CCCC1)c1ccccc1 T27134
Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 T27135
CNC(=O)Oc1cccc2CC(C)Oc12 T27137
CCN(CC)CCNC(=O)c1ccc(N)c(Cl)c1 T27138
CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O T27139
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4 T2714
Cl.[H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O T27140
Cl.CNCCC(c1cccc(F)c1)c1cccc(F)c1 T27143
[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C(=O)c1c(O)cccc1[C@H]2O T27144
C[C@]12[C@H](O)CC(=O)c3coc(c13)C(=O)c1c3CCC(=O)c3ccc21 T27145
Cc1cc(=O)n2COc3c2c1cc1c(C)cc(=O)n(C)c31 T27147
Cc1cc(=O)[nH]c2C(=O)c3c(C(=O)c12)c(C)cc(=O)n3C T27148
OC(=O)\C=C\C(O)=O.[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)c1ccccc1 T27149
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COCc3ccccc3)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T27152
Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)C=C1 T27154
CN[C@H](C)CCC=C(C)C T27155
Cl.CN(C)CC[C@@]1(CCc2ccccc2C1=O)c1ccccc1 T27156
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 T27157
CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1c[nH]c2ncccc12 T27158
Cl.Cl.CCOCCn1c(CCN(C)C)nc2ccccc12 T27159
O=C(Nc1ccccc1)Nc1ccccc1 T2716
COc1c(O)cc(C[C@H](N)C(O)=O)cc1O T27162
O=C1NC(Nc2ccccc12)c1cccc2ccccc12 T27163
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)P1(=O)OCCCO1 T27164
"6-methyl-2-(propylsulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol T27165
O=C([C@H]1O[C@@H](OC(CC2=CC=CC=C2NC3=C(Cl)C=CC=C3Cl)=O)[C@H](O)[C@@H](O)[C@@H]1O)O T27167
OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T2717
CCOC(=O)c1cnc([nH]1)-c1ccc(cn1)C(=O)OCC T27170
CCNCCCCNCCCCNCCCCNCC T27171
CCOc1ccccc1C(=O)NCc1coc(n1)-c1ccc(OC(F)F)c(OC(C)C)c1 T27172
[Na+].FC(F)S(=O)(=O)[N-]c1cccc(c1)C(=O)c1ccccc1 T27173
Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O T27174
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(c1cccs1)c1ccnn1C T27175
[H][C@@]12CC[C@H](OC(=O)CCCCCCCCCC)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] T27176
O=C1CN2C(CCC2=O)N1 T27178
Cn1c2ncn(CC(COC(=O)c3cccnc3)OC(=O)c3cccnc3)c2c(=O)n(C)c1=O T27179
[Cl-].COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC T2718
CCC(=O)O[C@@]1(C[C@@H]2CC[C@H]3[C@@H]4CC[C@@](OC(=O)CC)(C#C)[C@]4(C)CC[C@H]3[C@H]2C1)C#C T27180
CC(=O)O[C@@]1(C[C@@H]2CC[C@H]3[C@@H]4CC[C@@](OC(C)=O)(C#C)[C@@]4(C)CC[C@@H]3[C@H]2C1)C#C T27181
CCOc1ccc(CC2=NCCc3cc(OC(C)C)c(OC(C)C)cc23)cc1OCC T27183
Oc1cccc2C(=O)C=C(c3ccccc3)S(=O)(=O)c12 T27184
CC(C)[C@H](N)C(=O)OC[C@@H]1O[C@@H](C[C@H]1OC(=O)[C@@H](N)C(C)C)n1ccc(N)nc1=O T27185
CCc1c(OC)nc2nc(cn2c1C)C(=O)c1ccccc1 T27186
CC(N=C=S)c1ccccc1 T27188
CCCCCCCCCCCCCCC[C@@H](O)[C@H](N)CO T27189
OC(=O)CCC(O)=O T2719
COc1cc(C(C)OC(=O)[C@H]2CS\C(N2)=c2\nc3C=CC(=O)C=c3s2)c(cc1OC)[N+]([O-])=O T27190
OC1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O T27191
CC1NC(=O)C(CC(O)=O)NC1=O T27192
NC1=NC(Cl)=C2C(N(CC3=C(Br)C=C(OCO4)C4=C3)N=C2)=N1 T27193
CCOC(=O)c1[nH]c2ccc(cc2c1CCC(O)=O)[N+]([O-])=O T27194
[H][C@]1(CN(CC(F)(F)C1)C(=O)c1ccc(F)c(Br)c1)c1cc(C)nc2ncnn12 T27195
CS(O)(=O)=O.NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)C#N)cc12 T27196
Cl.CC#CC1(CCCCC1)OCC(COCC(C)C)N1CCCC1 T27197
Clc1cc(ccn1)-c1ccnc2c(cnn12)C(=O)c1ccccn1 T27198
Fc1ccc2NC(=O)N[C@@](\C=C\C3CC3)(c2c1F)C(F)(F)F T27201
FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 T27203
Fc1ccc2NC(=O)N[C@@](C#CC3CC3)(c2c1F)C(F)(F)F T27204
OC(COc1cccc2[nH]c(cc12)C#N)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 T27205
CC(C)(C)c1ccc(Cn2cnc(n2)[N+]([O-])=O)cc1 T27206
O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 T27207
O=C1NC(=O)C(Cc2ccc(OCCN3COc4ccccc4C3=O)cc2)S1 T27208
CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O T27209
[2H][C@]1(Cc2ccc(OCCc3ccc(CC)cn3)cc2)SC(=O)NC1=O T27210
O.O.Cl.Cc1c(N2C[C@]3(N)CCC[C@]3(F)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F T27211
CCN(CC)S(=O)(=O)c1cccc2cc(C(O)=O)c(O)cc12 T27213
Cc1cc(Nc2ccc(nc2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F T27214
Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 T27215
OC(=O)\C=C/C(O)=O.CN1CCC2(C1)C1CC3CC(C1)CC2C3 T27216
CC(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O T27217
CC1OC2=C(C(=O)C(=O)c3ccccc23)C1(C)C T27218
Cc1nc(C)c(C)nc1C T2722
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O T27220
Clc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)NCc1ccccc1 T27221
O=C(NC1=CC=C(F)C(F)=C1)C2=CC(S(=O)(NC(C)CC)=O)=CC=C2F T27222
CC(=O)Nc1cccc(Nc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccc3)n2)c1 T27223
Clc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 T27225
FC(F)(F)c1ccc2[nH]c(NC(=O)c3csc(n3)-c3ccc4OCCc4c3)nc2c1 T27226
CC(C)O[C@@H](Cc1cccc(OC[C@H](F)COc2ccc(Cl)cc2C#N)c1)C([O-])=O T27228
Cc1ccnc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(nc12)C1CC1 T27229
CC1=CC(=O)CC(C)(C)C1=O T2723
CN(C)CCc1cccc(c1)-c1c(C)nn(C)c1C T27230
CO[C@@H]1CN(C[C@@H]1O)c1ccc(C#C[C@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 T27231
OC(=O)CC(O)(CC(O)=O)C(O)=O.Fc1ccc(cc1)C1=CCN(CCCCn2cncn2)CC1 T27232
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1F)C(F)(F)F T27233
O=C1N(c2ccccc2)[Se](=O)c2ccccc12 T27235
CCOC(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12)OCC T27236
CC\C(=C\C)C(=O)NC(N)=O T27238
Cc1oc(nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12)-c1ccccc1 T27239
C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC[C@H]1O2 T2724
CN(O)C1N(C(=O)N(CC(=O)N\N=C\C=C\c2ccc(o2)[N+]([O-])=O)C1(C)C)c1ccc(Cl)cc1 T27240
CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2onc(O)c12 T27241
Cl.Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O T27242
OC(=O)COCCN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1 T27244
CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 T27245
COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O T27246
Nc1ccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ccc4c3)c2c1 T27247
Cn1ncc(NCCN2CCC(CC2)c2noc3cc(F)ccc23)c(Cl)c1=O T27248
Cc1cc(c(cc1N)N1CCN(Cc2ccccc2)CC1)[N+]([O-])=O T27249
Br.CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 T2725
OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1 T27250
CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(O)c1CCCC T27251
Clc1ccc(cc1)N1CC(=NC1=O)N1CCCCC1 T27252
OC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl T27254
Cl.Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)N1CCNCC1 T27255
Nc1nc(=O)n(cc1F)[C@H]1O[C@@H](CO)C=C1 T27256
O=C(N1[C@@H](C(NC2=CC=C(N3C(COCC3)=O)C=C2)=O)C[C@@H](O)C1)NC4=CC=C(Cl)C=C4 T27257
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O T2726
CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O T27260
COc1ccccc1N1CCN(CC(O)COc2cc(OC)c(OC)c(OC)c2)CC1 T27262
CCOC(=O)N(Cc1ccccc1)C1CC1 T27263
CCCCCCCc1c(C)[nH]c2cc(OC)ccc2c1=O T27264
CCCCC/C=C/C(CCC1=CC=C(O)C(OC)=C1)=O T27266
Cl.CC(C)CC(=O)N1CCN(CC1)C(=O)CCCCCN T27267
OC1=C(C)C=C(/C=C/C2=CC=C(F)C=C2)C=C1C T27268
Cl.COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCN(CC1)c1ccccc1OC T27269
CNC(=O)ON=C1SCCS1 T27270
Cc1nocc1C(=O)N1CCN2C(=O)c3cccn3C[C@]12c1ccc(C)nc1 T27271
Cl.Cc1cccc(C)c1NC(=O)C1CN2CCC1CC2 T27272
[H][C@@]12CC[C@@]([H])(O1)[C@H](\C=C\[C@H](O)COc1ccc(F)cc1)[C@H]2C\C=C/CCCC(O)=O T27273
OCC1CCCCCCCCCC(=C)C1=O T27274
Oc1c(Br)cc(cc1Br)C(=O)N1CCOc2ccncc12 T27275
CCOC(=O)CCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CC T27276
OC(=O)\C=C\C(O)=O.CN(C)CCO\N=C(\C=C\c1ccc(O)cc1)/c1ccccc1F T27277
O=C(C1CCCCC1)N1CC2N(CCCc3ccccc23)C(=O)C1 T27278
CCN1C(=O)C2=CCc3cc(OC)cc(OC)c3[C@H](C)N2C11CCN(Cc2cc(C)cc(C)c2)CC1 T27279
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1 T2728
CSCCCCN=C=S T27282
CS(=O)(=O)CCCCN=C=S T27283
CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 T27285
Cl.CCOC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C T27286
[H][C@@]12CCC(OC(=O)C3=CN(C)C=CC3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] T27287
CCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 T27288
CC\C(=C(\c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 T27289
COc1cc2ccc(=O)oc2cc1OC T2729
Clc1cc(nc(n1)N1CC1)N1CC1 T27292
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC(=O)C1(CCCN(C)CC1)c1ccccc1 T27294
CCN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 T27295
Cl.CCCCOc1cccc(CCNCC(=O)N(C)C)c1 T27297
Cc1cc(c(C(=O)C(=O)Nc2ccc(cc2)N2CCN(CC2)c2ncc(F)cn2)n1C)-c1ccccc1 T27300
[Cl-].COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O T27301
COc1ccc(CCN(C)CCCN2Cc3cc(OC)c(OC)cc3C2=O)cc1OC T27302
C\C(CC[C@H]1[C@]2(C)CC[C@@H](O2)C1(C)C)=C/COc1ccc2ccc(=O)oc2c1 T27304
[Cl-].O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 T27305
C[C@H](NC(=O)[C@@H](CSC(C)=O)Cc1ccc2OCOc2c1)C(=O)OCc1ccccc1 T27306
Cc1ccc(OCC(=O)N(Cc2cccs2)c2cc[nH]n2)cc1 T27308
Cl.Cl.O=C(CN1CCN(CC(=O)c2ccccc2)CC1)NCc1ccccc1 T27309
CC(=O)C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)C2(C)C1=O T2731
CCCC\N=C(\c1ccccc1Cl)c1cc(Cl)ccc1O T27310
C[C@@H](C#Cc1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O T27311
OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)-c1ccccc1 T27312
CC(C)(CO)NCC(O)c1ccccc1 T27313
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C1CCCCC1 T27316
COC(=O)c1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 T27317
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 T2732
O[C@H](Cc1ccc(F)cc1)[C@H](c1ccc(cc1)C#N)n1cncn1 T27320
Cl.CCC1(Cc2ccc(F)cc2C1)c1c[nH]cn1 T27321
OCCOCCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1 T27322
OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 T27323
CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1 T27324
CCCCc1nc2cccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 T27325
CC(=O)N1CCN(CC1)NC(=O)c1ccc(F)cc1 T27326
FC(F)(F)C(F)(F)C(=O)CCCCc1ccccc1 T27327
CN(C)CCC(NC(=O)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 T27328
CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O T27329
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1 T2733
COc1cc2O[C@]3([C@@H](C[C@@H](O)[C@@]3(O)c2c(OC)c1)c1ccccc1)c1ccc(Br)cc1 T27330
Cl.CC(C)(C)NCC(O)c1ccccc1F T27331
OS(O)(=O)=O.CC(C)(CNC(N)=O)NCC(O)COC(=O)c1ccccc1F T27332
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC1CCCCCC1 T27333
OCC(O)COC(=O)c1ccccc1Nc1ccnc2c(cccc12)C(F)(F)F T27335
On1c2CC(CC(=O)c2c(=O)c2cc(Cl)ccc12)c1ccc(cc1)C(F)(F)F T27337
CC12CCC3C(CC=C4CCCCC34C)C1CC(F)C2=O T27338
Cl.[H][C@]12CNC[C@]1([H])Oc1c(F)cccc1O2 T27340
[H][C@@]12Oc3nc(=N)c(F)cn3[C@]1([H])O[C@H](CO)[C@H]2O T27342
OCCN1c2ccc(Cl)cc2C2(OCCN2CC1=O)c1ccccc1F T27343
COC(=O)\C=C\C(=O)NC[C@H](N)C(O)=O T27344
CC(C)n1c2CCCCc2c2cc(NC(=O)N(C)CCc3ccncc3)ccc12 T27345
Cn1ncc2c(NCc3ccc(Cl)cc3)ncnc12 T27346
CC(=O)c1ccc(O)c(c1)C(O)=O T2735
COC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(N[C@@H](C)C(=O)OC)Oc1ccccc1 T27350
CCOP(=O)(Cc1ccc(cc1)-c1nc2ccccc2s1)OCC T27351
N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O T27355
COC(=O)C1=C(CF)NC(C)=C(C1c1c(F)ccc(Cl)c1C(F)(F)F)C(=O)OC(C)C T27357
Oc1nc(nc2ccccc12)-c1ccc(F)cc1 T27358
CCCCC1(CCCC)CCc2c(OCc3ccc4ccccc4n3)cccc2[C@H]1O T27359
[Na+].[Na+].[O-]C(=O)C1C2CCC(O2)C1C([O-])=O T2736
CC(=O)N1CCN(CC1)NS(=O)(=O)c1ccc(F)cc1 T27361
CCOC(=O)CC[C@H]1OC(=O)C(OC)=C1c1ccccc1 T27362
O=C(NN1CCC=CC1)Nc1ccncc1 T27363
COC(=O)c1c(O)cc(C)c(C(=O)OC(C)C)c1-c1ccccc1[N+]([O-])=O T27364
Cc1nc(cc(-c2cccc(c2)[N+]([O-])=O)c1C(=O)NCCN1CCOCC1)-c1ccccc1 T27365
[Na+].[Na+].OP([O-])(=O)C(C(=S)Nc1ccccc1)P(O)([O-])=O T27366
C[C@@H](N[C@@H](Cc1c[nH]cn1)C(O)=O)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(O)=O T27367
COc1cc(O)c2C(=O)[C@](O)(CC(C)=O)C(=O)c3c(O)cc(C)c1c23 T27368
O=C(C(CO)(SC)N1C)N(C)C(CC2=CC=CC=C2)(SC)C1=O T27370
Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)(C)O T27371
CS(O)(=O)=O.NC(=N)NC(=O)c1cc(CO)cc(c1)-n1cccc1 T27372
[Na+].[O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 T27373
OC(=O)COc1cccc2C[C@@H](Cn3nc(ccc3=O)C(c3ccccc3)c3ccccc3)CCc12 T27374
Cc1nnc(SC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc2ccccc2)C3=O)C(O)=O)s1 T27375
CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1cccc(c1)-c1cc[nH]n1 T27376
NC(=O)Cc1csc(SC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc2ccccc2)C3=O)C(O)=O)n1 T27378
CN1CCC(CC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 T27379
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/C=COC3=O)C(=C)CC[C@H]12 T2738
Cc1c(O)c(O)c(O)c(C=O)c1CO T27380
COC1OCc2c1c(O)c(O)c(O)c2C T27381
CS(=O)(=O)N1CCN([C@@H](C1)C(=O)NO)S(=O)(=O)c1ccc(s1)-c1ccc(F)cc1 T27382
NC(=O)c1cn(cn1)C(CO)CCc1ccccc1 T27383
C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O T27384
Cc1cn(cn1)-c1cccc(Nc2ncnc-3c2CCc2ccccc-32)c1 T27385
CCC\C=C\C=C\C1CC(O)C(O)C(=O)C1C=O T27389
OC1CC(=CC(O)C1O)C(O)=O T2739
Cl.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O T27391
C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)N1CCS(=O)(=O)CC1 T27392
CCS(=O)(=O)Nc1oc(c(O)c1O)-c1ccc(Cl)cc1 T27393
Nc1ncc(\C=C\c2ccc(o2)[N+]([O-])=O)nn1 T27394
Cl.Cl.NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N T27395
CC1(C)COC(CN1)c1ccccc1 T27396
C[C@H]1CCCC[C@@]1(N1CCCCC1)c1cccs1 T27397
[Ga+3].Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-] T27398
COc1cc(cc(OC)c1OC)C(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O T27399
OC(=O)\C=C\c1ccccc1 T2740
CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN T27400
Cl.CS(=O)(=O)Nc1ccc(F)c(c1)[C@@H](O)CN T27401
CS(=O)(=O)N1CC2=C(CN(C2)[C@H]2CO[C@H]([C@@H](N)C2)c2cc(F)ccc2F)C1 T27402
NS(=O)(=O)c1ccc2N[C@@H]([C@@H]3CC=C[C@@H]3c2c1)c1ccc(Br)cc1 T27404
[O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1 T27405
Cl.N[C@@H]1CCCN(C1)c1c(Br)cnc2[nH]cc(NC(=O)C3CC3)c12 T27407
NC1=N[NH+]([N-]O1)c1ccc(Cl)c(Cl)c1 T27408
CC(C)(CO)CCCCCCC(C)(C)CO T27409
CC1(C)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O T27410
N[C@@H](CCC(=O)N[C@@H](CO)C(O)=O)C(O)=O T27411
COC(=O)[C@H](CC(C)C)NC(=O)N1CCN(Cc2nc[nH]c2C)C(=O)[C@@H]1Cc1ccccc1 T27412
COc1ncccc1C(=O)NCCC1CCN(CC1)S(=O)(=O)NC(=O)NC[C@@H]1C[C@H]2C[C@@H]1C=C2 T27415
CC(C)(C)N1CCN(CC1)c1ccc(Nc2ncc(-c3coc(c3)C(N)=O)n3ncnc23)cc1 T27416
CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1 T27418
CC(O)=O.NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(O)=O T27419
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 T2742
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12[H])C(F)(F)F T27420
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 T27421
COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]ccc12 T27423
CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N T27424
O=C(C1=CN(CC=C)C(C2=C1C=CN2)=O)N(C3CCN(C4=NC=NC(C5=CC=CC(OC)=C5)=C4)CC3)C T27425
COc1ccc(\C=C\C(=O)Nc2cccc(Cl)c2)cc1O T27426
COc1ccc2n(CC(O)CN(C)C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1 T27427
O[C@@H]1C[C@H](OC2=C(CCCC([O-])=O)C=CC=C23)[C@H]3[C@H]1/C=C/[C@@H](O)C(C)CC#CC.[Na+] T27428
COc1ccc2[nH]cc(C3CCCN(C3)C(C)=O)c2c1 T27429
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO T2743
CC(=O)NCCN1CCc2ccc3OCCc3c12 T27430
CCCN(CCC)[C@@H]1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 T27431
Fc1cccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1 T27433
FC(F)Oc1ccc(cc1C#Cc1ccccn1)C(=O)N1Cc2cccnc2C1 T27434
COc1ccc(Cc2nc(O)c(O)c3cc(O)c(O)cc23)cc1 T27435
COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1 T27436
Cc1noc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1 T27437
O[C@@H]1CCC[C@H]1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSc2ccccc2F)[C@@H](O)[C@H]1O T27439
[H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C T2744
CO[P@@](=O)(c1c([nH]c2ccc(Cl)cc12)C(N)=O)c1cc(C)cc(\C=C\C#N)c1 T27442
COc1ccc(cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1)N1C[C@H](C)N[C@H](C)C1 T27443
Cc1[nH]c(CO)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl T27444
c1ccc2c(c1)c(nn(c2=O)C[C@H]3CCCN3CCCCc4ccc(cc4)OCCCN5CCCCCC5)Cc6ccc(cc6)Cl T27446
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O T27447
Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12 T27448
Cn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12 T27449
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O T2745
CN(Cc1cccc(c1Cl)C(F)(F)F)C(=O)[C@@H]1CCC(=O)N1 T27450
[H][C@]12CCCN1CCN(C2)[C@@H](C(=O)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccnc1 T27451
COc1ccc(cc1)-c1cc(NC(=O)c2ccc(F)cc2Cl)ccc1OC T27453
CN1CCN(CC1)c1cccc2cc(cnc12)S(=O)(=O)c1cccc(F)c1 T27455
Clc1cc(Cl)cc(Nc2nc(N[C@@H]3CCNC3)nc3cc[nH]c(=O)c23)c1 T27456
C[C@@H](OC(=O)Nc1ccccc1)c1sc2ncnn2c1C T27457
CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 T27458
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCC(O)=O)CCc2c1C T27459
O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 T2746
O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 T27462
OC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 T27466
Cl.CC(C)C[C@H](NC(=O)C1(N)CCOCC1)\C=C\C(=O)N1CCc2ccccc12 T27468
NA T27469
OC(=O)C1C2CCC(O2)C1C(O)=O T2747
CC1=C(C(CC(=O)N1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2[nH]ncc2c1 T27471
CC1=C(C(N=C(N1)c1ccc(nc1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 T27472
CC(C)N1CCCN(CC1)C(=O)C1CCN(CC1)c1ccc(nc1)C(F)(F)F T27473
[Na+].CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O T27474
CCn1ncc2c(NC3CCOCC3)c(cnc12)-c1nnc(Cc2sc(C)nc2C)o1 T27475
OC(=O)CNC(=O)c1c(O)c2cc(F)ccc2n(CCC2CC2)c1=O T27476
CCc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)NCc3ccc(OC)cc3)c2N1)C(F)(F)F T27477
COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 T27478
CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c2[nH]ncc2c1 T27479
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO T2748
Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 T27481
CCc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)NCc3ccc(F)cn3)c2N1)C(F)(F)F T27482
CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1CCN(CC1)c1ccc(N)cc1F T27483
NC(=O)c1c(F)cccc1Nc1nc(NCc2nccs2)ncc1Cl T27486
OB1O[C@H](CN)C2=C(Cl)C=CC(OCCO)=C12.[H]Cl T27487
Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N T27488
COc1ccc2n(ccc2c1C)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O T27489
[H][C@]12C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@@]3([H])O[C@@]4(C(=O)O5)[C@@]1(O)[C@H](C)C(=O)O2 T2749
CCc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(O)=O)c2N1)C(F)(F)F T27490
CCc1ccc(cc1)[C@@H]1C[C@@H](n2ncc(C(O)=O)c2N1)C(F)(F)F T27491
Cl.CCOC(=C)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1OC)N1C[C@H](C)N[C@H](C)C1 T27493
CN(C)C1(CCCC1)[C@@H](NC(=O)c1c(C)cccc1C)c1ccccc1 T27494
CCc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)NCc3cccc4OCOc34)c2N1)C(F)(F)F T27495
CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F T27496
CC1(C)CCC(CC1)NCc1ccc(Oc2ccc3nc[nH]c3c2)cc1 T27497
Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1 T27498
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O T2750
Cl.CC(C)(C)CC(C)(C)NC(N)=N T27501
CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1 T27502
OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C1/CCN(C1=O)c1ccccc1 T27504
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C(C)C)N(O)C=O)C(=O)Nc1ccccn1 T27507
CC(C)(C)c1nnc(o1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 T27509
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O T2751
NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 T27511
C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 T27514
Cc1[nH]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl T27516
OC(=O)c1cccc(n1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1F T27517
C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1 T27518
CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F T27519
O.Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 T2752
COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cnn(C)c3)cc2OC)cc1 T27522
CC(N)Cc1ccc(C)c(O)c1 T27523
FC(F)(F)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)o1 T27524
Cl.Cl.NC(=N)NCCNS(=O)(=O)c1cccc2cnccc12 T27525
C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21 T27526
Fc1cccc(Cl)c1C1CC(Nc2nnnn12)c1ccc(Cl)cc1 T27527
O=C(C1=CC=C(N=C(CCCC2)C2=C3Cl)C3=C1)N([H])CCCN(C)CC4=CC=CC=C4 T27528
[Cl-].[Cl-].C[N+]1(C)CCOC(O)(C1)c1ccc(cc1)-c1ccc(cc1)C1(O)C[N+](C)(C)CCO1 T27529
CNC(=O)c1c(oc2cc(NS(C)(=O)=O)c(OC(C)C)cc12)-c1ccc(F)cc1 T27530
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O T27532
COC(=O)C1CC(OC(=O)c2ccccc2)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1 T27534
CC1=NN(C(=O)\C1=N/Nc1cccc(-c2ccc(o2)C(O)=O)c1O)c1ccc2CCCCc2c1 T27535
Oc1ccc(cc1CC=C)C(c1ccc(O)c(CC=C)c1)(C(F)(F)F)C(F)(F)F T27537
COS([O-])(=O)=O.C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 T27539
[O-][N+]12CCC[C@H]3CN4[C@H](CCCC4=O)[C@@H](CCC1)[C@@H]23 T2754
CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O T27541
S=C(NCCc1ccccn1)Nc1ccccn1 T27542
CCOC(=O)C1=CSC2=NC(=O)CCCN12 T27543
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)[C@@]1(C[C@H](C)C(C)(C)O1)O2 T27544
[O-][N+](=O)c1ccc2n(-c3cccc(Cl)c3)c3nc(=O)[nH]c(=O)c3cc2c1 T27546
[O-][N+](=O)c1ccc2n(-c3ccc(Cl)cc3)c3nc(=O)[nH]c(=O)c3cc2c1 T27547
Cc1ccc(cc1)-n1c2ccc(cc2cc2c(O)nc(=O)nc12)[N+]([O-])=O T27548
OC12N=C(SC1Cc1cc(Cl)ccc21)c1ccccc1 T27550
ClC(Cl)C(=O)Oc1c(CC=C)cc(-c2ccccc2)c(OC(=O)C(Cl)Cl)c1CC=C T27551
Cl.COc1cc2ncnc(N3CCN(CC3)C(=O)OCC(C)(C)O)c2cc1OC T27552
OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1 T27553
CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O T27554
COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1 T27555
OC(=O)CCN1CCC(CC1)=C1c2ccc(F)cc2OCc2cccnc12 T27556
COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)[C@H](Cc2cccc(C)c2)C1 T27557
[O-][N+](=O)c1cccc(c1)-c1nsc(=O)o1 T27558
Cc1nc2ccc(Oc3ccccc3)cc2c2N(CCc3ccccc3)CCc12 T27559
OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O T2756
Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N T27560
NNc1ccc(nn1)C(N)=O T27561
[Cl-].Cc1c2[nH]c3ccc(O)cc3c2c(C)c2c[n+](CCN3CCCCC3)ccc12 T27562
Nc1ncc(\C=C\CNC(=O)c2cc(Br)c[nH]2)[nH]1 T27564
OC\C(=C\C[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 T27565
CCOC(=O)c1ncn-2c1CN=C(c1ccccn1)c1cc(ccc-21)C#C T27566
CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1 T27567
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O T2757
CCN(CC)CCOC(=O)C(C)c1ccc(CC(C)C)cc1 T27572
CC(C)Cc1ccc(cc1)C(C)C(=O)NO T27573
CN(C)CCSc1nc2ccccc2cc1-c1ccccc1 T27574
OC(=O)CC\C=C\C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl T27575
CN(C(CN1CCCC1)c1cccc(OCC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 T27577
CCCCc1cc2c(cc1OCCOc1ccccc1)[nH]c(C)c(C(=O)OCC)c2=O T27578
N[C@H]1CC(=C)C[C@H]1C(O)=O T27580
CCN([C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)CN T27581
COc1ccc(\C=C2/SC(=S)N(CCCC(O)=O)C2=O)cc1OC T27582
OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F T27583
O=C(NCCO)/C=C/C1=CC=CC=C1 T27585
[H][C@@]12CCC(O1)C(C2Cc1ccccc1CCC(O)=O)c1nc(co1)C(=O)NCCCCC T27588
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12 T2759
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOc1cc(F)ccc1F T27590
C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO T27592
CCCCN(C1CC(C)(C)Oc2ccc(cc12)C#N)S(=O)(=O)CC T27593
[I-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CC)(CO)c1ccccc1)[N+]2(C)C T27594
Cl.O=C1CCC(=NN1)c1ccc(cc1)-n1ccnc1 T27596
c1c[nH]cn1.OC(=O)c1ccccc1O T27597
Cl.Cl.Cc1cc(N2CCC[C@@H](N)C2)c2n(Cc3ccccc3C#N)c(=O)n(C)c2n1 T27598
CCn1ccnc1CC1COc2ccccc2O1 T27599
O.C(=O)([C@H](Cc1cc(c(c(c1)I)O)I)N)O.O T2760
Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C T27601
[Na+].[Na+].OP([O-])(=O)C(NC1CCCCCC1)P(O)([O-])=O T27602
COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO T27603
CN1CCN(CC1)c1ccc(Nc2cccc3cc(Cl)ccc23)cc1 T27605
Cl.NC(=O)CNC1Cc2ccccc2C1 T27606
Cl.Cl.CN1CC2CC(CC(C1)N2C)NC(=O)c1n[nH]c2ccccc12 T27607
Cl.[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCc3ccccc3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O T27608
[O-][N+](=O)c1ccc2[nH]c(cc2c1)-c1ccccc1 T27609
OC(=O)CCCC(=O)NCCc1c[nH]cn1 T27610
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)CCCCC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C T27611
CN(C)CCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc12 T27612
CC(=O)Nc1ccc(cc1)N1C(=O)\C(=C/c2ccc(Cl)cc2)C=C1c1ccccc1 T27613
Fc1ccc(NS(=O)(=O)c2ccoc2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 T27614
Oc1cccc2C(=O)c3cccc(OC(=O)C4CC4c4ccccc4)c3C(=O)c12 T27615
COC(=O)Cn1nc(-c2ccccc2)c2ccccc12 T27617
COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2cccc(C)c12 T27618
CN(Cc1ccc(I)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F T27619
Cl.C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(O)=O T2762
COCCOCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C T27620
Cl.CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 T27621
Oc1[nH]c(=S)n(Cc2ccc(F)cc2)c(=O)c1C1NCCc2c1[nH]c1ccccc21 T27622
Cl.O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 T27623
Cl.CC(C)NC(C)(C)C(C)C T27624
CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O T27625
CN(C)CCOc1ccccc1-c1nc(no1)-c1ccccc1 T27626
C(C1CONC(=N1)c1cccnc1)N1CCCCC1 T27627
CC(=O)N[C@@H](Cc1ccc(O)cc1Oc1ccc2[nH]cc(CCN)c2c1)C(=O)NCC(N)=O T27628
CC(C)OC(=O)C1=C(C)N=C2Nc3ccccc3N2C1c1ccco1 T27629
C[C@H]1O[C@H](OC2[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1\N=C(/N)C(O)=O T2762L
C[C@@]12CC[C@@H]([C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 T2763
OC(=O)CCCC\C=C(/c1ccccc1)c1cccnc1 T27630
CC(=O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C T27631
COc1cc(ccc1-c1nc2ccncc2[nH]1)S(C)=O T27632
Cc1cccc(C)c1NC(=O)c1cccnc1O T27633
CC(C)Cc1sc(nc1C(=O)NCc1ccc(F)cc1)-c1nccs1 T27634
OC(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1 T27635
CN[C@@H](C)C\C=C\c1cncc(OC(C)C)c1 T27636
Cl.COc1ccc2c(c1)c(-c1ccccc1)c(CN(C)C)n(C)c2=O T27637
CC(C)Cc1ccc(CCc2cc3c(s2)-n2c(C)nnc2C(C)N=C3c2ccccc2Cl)cc1 T27638
CC(C)c1ccccc1C1SCC(=O)Nc2ccc(Cl)cc12 T27639
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)cc4cc3Cn1c2=O T2764
Cc1noc(n1)-c1ccc2n(CCCSc3cc(F)cc(F)c3)c3CCCCc3c2c1 T27641
[Na+].[O-]C(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 T27642
CCc1cccc2sc(Sc3ccc4c(CC[C@H]5N(C)C(=O)CC[C@]45C)c3)nc12 T27643
ONC(=O)c1ccc2SCCC(=O)Nc2c1 T27644
CC1Sc2ccc(cc2NC1=O)C(=O)NO T27645
ONC(=O)c1sc2ccccc2c1Cl T27648
CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O T27649
c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)O)O T2765
CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C=C)ccc3F)c12 T27650
C/C=C/C=C/C=C/C(N[C@@H]1C(N(C)[C@@H](C(C)C)C(N[C@@H](C)C(NCCC1)=O)=O)=O)=O T27651
COc1oc(=O)c2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc2c1Cl T27652
CCn1\c(=C\c2ccccn2)s\c(=C2\Sc3cc(ccc3N2C)C(F)(F)F)c1=O T27655
O=C(N/N=C/C1=CC=C(OCO2)C2=C1)C3=CC=CC=C3 T27656
Fc1ccccc1CCOC(=O)N[C@@H]1CN2CCC1CC2 T27657
O=C(C1=NC2=CC(Cl)=CC=C2N1)N3CCN(C)CC3 T27658
COc1ccc(cc1)-c1cnc(nc1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2OCCc2c1 T27659
CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1C#N T27663
COc1ccc(cc1)-n1nc(C[C@H](C(O)=O)c2cccc(C)c2)cc1-c1ccc(Cl)c(Cl)c1 T27664
OCC1=C(C2=CC=NC=C2)N=C(NC3=CC=C(F)C(C(F)(F)F)=C3)S1 T27665
Cc1cn(-c2c(C)cc(Br)cc2C)c2nc(C)nc(N3CCC(CO)CC3)c12 T27666
CCN(CC)C(=O)c1ccc2C(=C3CC4CCC(C3)N4)c3ccccc3Oc2c1 T27667
Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3c(C)cccc23)n1 T27668
OC(=O)C[C@H](CC1CCN(CC1)C(=O)CCC1=CC=C2CCCN=C2N1)[C@H]1CNc2ccccc2C1 T27670
CCS(=O)(=O)C[C@](C)(O)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F T27671
NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1 T27672
NS(=O)(=O)NCc1csc2ccccc12 T27673
CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)OC)c([nH]c1=S)-c1ccno1 T27674
CSc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 T27675
OC(C=C)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F T27676
Fc1ccc(CN2CCC(CC2)Nc2ccc(nn2)C(F)(F)F)cc1F T27677
Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1 T27678
CN(C)C(=O)CCn1nc(Nc2ccc3OC(F)(F)Oc3c2)nc1-c1ccncc1 T27679
O=c1c(C#N)c(ccn1CC1CC1)N1CCC(CC1)c1ccccc1 T27680
Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1 T27681
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncs1 T27682
CN1CCc2c(C1)cccc2C(=O)NCC1(CCCCC1)N1CCN(CC1)c1ccccc1 T27683
Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1 T27684
COCCc1ccc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1 T27685
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 T27686
C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F T27688
Cl.[H][C@]12CCCN1C[C@@H](c1ccc(cc1)C#C)c1ccccc21 T27689
NCCC#N.NCCC#N.OC(=O)\C=C\C(O)=O T2769
O=C1N(C2=CC=CC(OC3=CC=CC=C3)=C2)SC4=C1C=C(F)C=C4 T27692
CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 T27693
Oc1ccc(cc1Cl)C(=O)N1CCOc2ccccc12 T27697
Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12 T27699
OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O T2770
CCOC(=O)c1ncn-2c1CN=C(c1ccccc1F)c1cc(ccc-21)C#C T27702
Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1 T27703
CC(=O)c1cccc(c1)-c1cnc2ccc(NCC3CC3)nn12 T27704
Cl.CSc1ccc2n(Cc3ccccc3Cl)c(C)c(CCN)c2c1 T27705
OC(=O)C(Cl)(Cl)CCCCCCCCCCc1ccc(Cl)cc1 T27706
Cl.C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](N)CC[C@]3(C)[C@H]1CC2 T27707
Cc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 T2771
CCCCCCCC(=O)C(CCCCCC)C(=O)NC(CO)CO T27710
CCC1=C(C)\C(=C/NC2CCCCCC2)N=C1c1ccc[nH]1 T27712
CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O T27714
Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)cc1 T27717
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCCC1=O)S(=O)(=O)Nc1ccccc1 T27718
OC(=O)[C@@H](N)CSCC=C T2772
OC(=O)c1ccnc(c1)-c1cc(NC(=O)c2ccc(O)cc2)ccc1O T27721
COC(=O)c1n[nH]c(C(=O)OC)c1O T27722
CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O T27723
[K+].CC(C)CCC1C(=O)C(C(=O)CC(C)C)=C(O)C1([O-])C(=O)CCC(C)C T27724
CC1C2CCC(C)\C=C(C)\CC(C)CC(C)C3(O)OC4=C(C)C(=O)C(O)=C(C(O2)C(C)C1O)C4=C3 T27725
CCCn1c2nc(-c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O T27727
CCCC1=NC(NC2=C1N1(=O)CCNC1=N2)c1ccc(Br)cc1 T27729
CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1cc(OC)ccc41)[C@](O)([C@@H]2OC(C)=O)C(=O)OC T2773
NC(=S)N\N=C(/c1cccc(O)c1)c1cccc(Br)c1 T27730
OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 T27731
Oc1c(ccc2cccnc12)C(Nc1nc2ccccc2s1)c1ccc(OC(F)F)cc1 T27732
Cc1cc(C)n2[nH]c(=S)nc2n1 T27733
CC1(C)Cc2c(sc(SCCOC(=O)Nc3cccc(Cl)c3)c2C(=O)C1)C#N T27735
CSc1ccccc1CNC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 T27736
C[C@]1(Oc2ccc(cc2C(=C1)N1CCCC1=O)[N+]([O-])=O)C1OCCO1 T27738
COC(OC)[C@@]1(C)Oc2ccc(N)cc2[C@@H](N\C(NC#N)=N/Cc2ccccc2)[C@@H]1O T27739
Cl.O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@@H]23)[C@@H]1O T2774
COc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 T27740
C#Cc1ccc-2c(c1)C(=NCc1c(ncn-21)-c1cnco1)c1ccccn1 T27744
CC[C@@H](Cc1ccc(OC)c(c1)C(=O)N(C)c1ccc(Oc2ccc(F)cc2)cc1)C(O)=O T27746
COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F T27749
O.Cl.[H][C@]12C3N(CCC3=C[C@H](O)[C@H]1O)Cc1cc3OCOc3cc21 T2774L
O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O T2775
O=C1OC(OCc2ccccc2)=N\C1=C/c1ccccc1 T27750
O=C(Nc1ccccc1)c1csc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 T27751
O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1 T27752
C[C@H](NCCc1ccc(OCC(O)=O)cc1)[C@H](O)c1ccc(O)cc1 T27754
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)o1 T27755
FC1=CC=C(CC2=C(O)C=C(O)C(C(N3CC(C=CC=C4)=C4C3)=O)=C2)C=C1 T27756
C[C@](O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O)C(F)(F)F T27758
CCC(C)Nc1ncnc2scc(-c3ccc(OC)cc3)c12 T27759
OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O T27760
CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(O)(CC(O)=O)C2 T27763
ONC(=O)C1COC(=N1)c1ccccc1 T27764
CCCCCC(O)CCN1C(CCCc2ccc(cc2)C(O)=O)SCC1=O T27765
C[C@H](CCCC[C@H]1OC(=O)[C@@H]1CO)C\C(C)=C\C(\C)=C\C(O)=O T27766
CCCOc1c(OC)cc(cc1S(C)(=O)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 T27767
CCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C T27768
CCc1cc(NCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C T27769
CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C T27770
CN(c1nn[nH]n1)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 T27772
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 T27774
[H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(OC)c21)C(C)(C)CCCCCC T27778
[H][C@@]12CC(=C)CC[C@@]1([H])C(C)(C)Oc1cc(cc(OC)c21)C(C)(C)CCCCCC T27779
O.O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 T2778
Clc1nc2ccccc2nc1CS(=O)(=O)c1ccccc1 T27780
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1 T27781
Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1 T27782
CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F T27784
CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1 T27785
[Na+].C[C@@H](C(=O)[N-]S(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 T27791
CC(N)CO T27792
C[C@@H](C1=CC=CC=C1)N=C=S T27793
CC1(C)[C@H](\C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 T27794
NC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 T27795
COc1cc(\C=C/C(=O)N2CC=CC2=O)cc(OC)c1OC T27796
O.CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O T27797
[H][C@@]12CC[C@H](C(=O)NC(C)(C)c3ccc(OC)cc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C T27798
CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)C1CC1 T27799
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O T2780
N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 T27800
Nc1nc2n(CC3(CC3)OCP(O)(O)=O)cnc2c(=O)[nH]1 T27801
CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c[n+]1[O-] T27802
NC(=O)CN1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1 T27803
[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C T27804
CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 T27805
CC(C)CCCCCCCCCCCC(O)=O T27807
COC(=O)C[C@@H]1C[C@@H](COc2ccc(cc2)-c2ccc(cc2)C(=N)NC(=O)OC)NC1=O T27808
C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12 T2781
Cc1ccc(cc1)-c1cnc2nc(oc2c1)C(=O)CCCCCc1ccccc1 T27810
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1 T27811
CC(C)CN(C)c1ccccc1CS(=O)c1nc2ccccc2[nH]1 T27812
CNCC[C@@H](O)[C@@H]1C[C@@H](CN1)SC1=C(N2[C@@H]([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O T27813
C[C@@H](N)[C@@H](O)CCCCCC\C=C/C\C=C\C\C=C/C\C=C/C\C=C/C\C=C/C[C@H](O)[C@@H](C)N T27815
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C T27817
Cl.[H][C@@]12CC[C@@H](O)C[C@@]1([H])c1c(N[C@H]2C)cc(O[C@H](C)CCCc2ccccc2)cc1OC(C)=O T27819
CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC T2782
Cl.CNC[C@H](O)CC12CCC(c3ccccc13)c1ccccc21 T27820
CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(CCn2c(C)nc3cnccc23)cc1 T27821
CC1(C)Nc2cc3[nH]c(=O)cc(c3cc2C=C1)C(F)(F)F T27823
CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F T27824
CCC(CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 T27825
C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F T27826
NCCCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O T27827
[O-][N+](=O)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 T27828
Cl.CNC(=N)NC(=O)Nc1c(C)cccc1C T27829
CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O T2782L
CCCCCC1C(CC(=O)OC)CCC1=O T2783
Cc1[nH]c(nc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)-c1ccc(C)cc1 T27830
CN1CCC(CC1)OC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 T27831
CC(C)(C)c1ccc(CCC(O)COc2ccc(cc2)C(O)=O)cc1 T27832
Cc1nc(CO)c(C)nc1CO T27833
CN(C(C)=O)c1cccc(c1)-c1ccc2nnc(C)n2n1 T27835
Cl.C(CN1CCOCC1)OC(c1ccccc1)c1ccccc1 T27836
CCO[C@H]1CCN(C1)C(=O)c1cc(-c2ccccc2)c(=O)n2CCc3ccc(Cl)cc3-c12 T27838
OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N T27839
CCOC(=O)c1c(C)cc(O)cc1O T2784
NC(=N)NCc1ccc(OCCC[18F])c(Br)c1 T27840
Clc1ccccc1C(c1ccc(cc1)-c1ccccc1)n1ccnc1 T27842
Cl.COc1ccc(Cl)c2C(CCCc12)N(C)C T27843
COC1=CC(=O)O[C@@H]1[C@@H](O)c1ccccc1Cl T27845
Cl.CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 T27846
CC1CCC(CC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 T27848
Cc1ccc(cc1)C(=O)Nc1nc2n(nc(C(=O)N3CCC[C@H]3CN3CCCC3)c2s1)C(C)(C)C T27849
COc1ccc2c(C)cc(=O)oc2c1 T2785
Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1 T27850
Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc1ccncc1 T27851
CC(N1CCN(CC2=CN(C3=CC=C(Cl)C=C3)N=C2)CC1)=O T27852
NA T27853
CC(C)NC(=O)c1ccc(cn1)C#Cc1ccncc1 T27854
CC(C)(C)c1nnc2C[C@H](CCn12)c1nc(no1)-c1ccc(F)cc1 T27855
COc1cc(cc(c1O)[N+]([O-])=O)C(O)P(O)(=O)CC[C@H](N)C(O)=O T27856
N[C@@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)cc1)C(O)=O T27857
O=c1nc(oc2c(cccc12)-c1cccc2ccccc12)N1CCOCC1 T27858
NCC(CCCC1=CC=CC=C1)(CCCC2=CC=CC=C2)C(NCCN)=O.[H]Cl.[H]Cl T27859
[O-][N@@+]12CCC[C@H]3CN4[C@H](CC=CC4=O)[C@@H](CCC1)[C@@H]23 T2786
O=C(N1CCCCC1)c1cnc(s1)C#Cc1ccccc1 T27860
Nc1nc(SCCO)c(C#N)c(-c2ccc(O)cc2)c1C#N T27861
C1CCC(CC1)c1nc2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1 T27862
Brc1ccccc1C(=O)c1ccc(OCC(=O)Nc2cccnc2)cc1 T27863
C\C(=N/O)c1nc(c[nH]1)C(O)C(O)C(O)CO T27864
Clc1cccc(c1)-c1ccc(cc1)C(=O)C1CCN(CC1)c1ncccn1 T27865
C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 T27867
Clc1ccc(cc1)C1c2ccc(Cl)cc2-c2ncncc12 T27868
[H][C@@]12Cc3c[nH]c4cccc(C1C[C@@H](CSC)CN2C)c34 T27869
OC[C@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)\C=C\c4ccccc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21 T2787
Cl.CN(C)C(CCOc1ccc(C)cc1)c1ccccc1 T27871
Cl.Clc1ccc2CCCNCc2c1Cl T27872
CC(C)(CCc1cccc(c1)C(N)=O)NCC(O)c1ccc(O)cc1 T27873
Cl.NCC(Cc1cccc2ccccc12)c1ccccc1 T27874
C1CC(c2ccccc2C1)n1ccnc1 T27875
Oc1ccc2CC[C@]34CCC[C@]3(CCN(CC3CC3)C4)c2c1 T27876
CCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O T27877
Nc1ccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1 T27879
CCCc1c(OCCCOc2ccc(NC(=O)c3nnn[nH]3)cc2)ccc(C(C)=O)c1O T27880
COc1ccc2OC(Cc3cccc(c3)C(O)=O)C(=O)c2c1 T27881
CO\N=C(\C(=O)NC1CN2CC(C(=O)OC)=C(N2C1=O)C(O)=O)c1csc(N)n1 T27882
Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(Cl)cc1 T27883
Clc1ccc(cc1)C(c1ccc(Cl)cc1)(c1cncnc1)n1ccnc1 T27884
CC1CC(=O)NN=C1c1ccc2N(C)C(=O)C(C)(C)c2c1 T27885
CO\N=C(\C(=O)NC1CN2CC(C(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 T27886
COc1ccc(cc1)-c1ccc(Nc2ccc(F)cc2)cc1-c1ccc(OC)cc1 T27887
[H][C@]12CCc3cc(Cl)ccc3[C@]1([H])CCC(=O)N2C T27889
c1cc(ccc1c1cc(=O)c2c(c(c(cc2o1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)O T2789
CO\N=C(/C(=O)NC1CN2CC(=C(N2C1=O)C(O)=O)S(C)(=O)=O)c1csc(N)n1 T27890
Cl.CC(C)(CCc1ccc(cc1)C(N)=O)NC[C@H](O)c1ccccc1 T27891
Cc1cccc(C)c1NC(=O)c1cc(C)c(N)c(C)c1 T27892
CCCc1c(OCCCCc2nnn(CCCCc3nnn[nH]3)n2)ccc(C(C)=O)c1O T27893
OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 T27894
Nc1nc(N)c2[nH]c(nc2n1)C1O[C@H](CO)[C@@H](O)C1(F)F T27895
CCCCCCCCCCOc1ccc(cc1CCC(O)=O)C(=O)c1cccc(c1)C(O)=O T27896
O=C([C@H]1NC[C@]2([H])CC[C@H](CCC3=NN=NN3)C[C@]2([H])C1)O T27897
[H][C@]12CCC(Cl)=C(N1C(=O)[C@H]2NC(=O)C(=N\O)\c1csc(N)n1)C(O)=O T27898
[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\c1csc(N)n1)C(O)=O T27899
[H][C@@]12CC[C@]3([H])[C@@]([C@@H]1O)(C(=O)C2=C)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@@]2([H])[C@@H]1O T2790
FC(F)(F)c1cc(NC(=S)N2NC(=O)[C@@H]([C@H]2c2ccccc2)c2ccccc2)ccc1Cl T27900
CN(C)N1CS\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O T27901
OC(=O)CCC[C@H]1CCN[C@H](C1)C(O)=O T27902
[H][C@]12CC[C@@H](Cc3nnn[nH]3)C[C@@]1([H])C[C@@H](NC2)C(O)=O T27903
CO\N=C(\C(=O)NC1CN2CC(C#N)=C(N2C1=O)C(O)=O)c1csc(N)n1 T27905
CN1CS\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O T27906
OC(=O)[C@@H]1C[C@H](CCCP(O)(O)=O)CCN1 T27907
CNN1CS\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O T27908
O=C([C@H]1NC[C@]2([H])CC[C@H](CP(O)(O)=O)C[C@]2([H])C1)O T27909
O=C(C1=NN(C)C2=C1C=CC=C2)NC3CC(N4C)CCC4C3 T27910
CCCN(CCC)[C@H]1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23 T27914
Cn1cc(CCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)cn1 T27915
[Na+].CCc1cc(c([O-])cc1OCCCCCC(C)(C)c1nnn[nH]1)-c1cccc(F)c1 T27916
[H][C@]12CC[C@@H](CCc3nnn[nH]3)C[C@@]1([H])C[C@H](NC2)C(O)=O T27917
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1 T27918
CC(C)[C@H](O)C(N[C@@H](C)C(N[C@@H]1C(N(C)CCC2=CC=CC=C12)=O)=O)=O T27919
OS(O)(=O)=O.N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO T2792
CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 T27920
Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1cncnc1 T27922
Cl.C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccccc1 T27923
Cl.C1C2=C(CNCC2)c2ccccc12 T27924
OC(=O)\C=C/C(O)=O.C[C@@H]1CN(CCC(=O)c2ccccc2)CC[C@@H]1c1cccc(O)c1 T27925
CCCCCCCN(CC)CCCCc1ccc(Cl)cc1 T27926
CCCCCCCN(CC)CCCCc1ccc(cc1)[N+]([O-])=O T27927
Cl.C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 T27928
CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1 T27929
COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC T2793
COc1cc2CC(N)=NC=Cc2cc1OC T27930
COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl T27931
CCCc1c(OCc2ccc(cc2)[C@H](O)c2cccc(c2)C(O)=O)ccc(C(C)=O)c1O T27932
[Na+].[Na+].Nc1nc(=O)c2CC(CCc3ccc(cc3)C(=O)NC(CCC([O-])=O)C([O-])=O)CNc2[nH]1 T27933
C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 T27934
CC(C)C(=O)c1ccc(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)c(c1O)C(F)(F)F T27935
O=C(N1NC([C@@H](C2=CC=CC=C2)[C@@H]1C3=CC=CC=C3)=O)NC4=CC=C(Br)C=C4 T27936
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)cc2)cc1 T27937
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)s2)cc1 T27938
C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O T2794
N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O T27942
CCCc1c(COc2ccc(\C=N\N=C(N)N)cc2)ccc(C(C)=O)c1O T27943
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F)c1ncc(F)cn1 T27944
CCCc1c(COc2ccc(\C=N\N=C(N)N)cc2)ccc(C(=O)CC)c1O T27945
NC(CC(C\C=C\c1ccc2ccccc2c1)C(O)=O)C(O)=O T27947
CNCC[C@H](Oc1ccccc1SC)c1ccccc1 T27948
[H][C@@]12CC[C@H](Cc3ccc(cc3)C(O)=O)C[C@]1([H])C[C@H](NC2)C(O)=O T27949
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O T2795
N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O T27950
CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccccc1F T27951
N[C@@](CC1c2ccccc2Sc2ccccc12)([C@@H]1C[C@@H](C1)C(O)=O)C(O)=O T27952
CC(C)S(=O)(=O)NCC(C)c1ccc(NC(=O)c2ccccc2)cc1 T27953
COc1ccccc1N1CCN(CC[C@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1 T27955
OCCSc1nc2CCCCc2c(NC2Cc3ccccc3C2)n1 T27956
Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1 T27957
[H][C@@]12CC[C@H](CN3CC(F)(F)C[C@H]3C(O)=O)C[C@]1([H])C[C@H](NC2)C(O)=O T27958
CNC(=O)c1ccc(cc1)-c1ccc(cc1)[C@@](C)(F)CNS(=O)(=O)C(C)C T27959
O[C@@H]1[C@@H](O)[C@H](O[C@@H](C#N)c2ccccc2)O[C@@H]([C@H]1O)C(O)=O T2795L
Cc1oc(nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1 T27960
NCCCC[C@H](N)C(O)=O.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T27963
COc1ccc(cc1OC)C(O)C1CCN(CCc2ccc(F)cc2)CC1 T27966
CCNC(=O)Nc1ccc2c(c1)c(C)nc1ccccc21 T27967
C[C@@H](C(O)=O)c1ccc(cc1)-c1sccc1C T27968
COc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(N)=O T27969
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F T27970
Cc1cc(N2CCCCCC2)n2ncc(-c3ccc(F)cc3)c2n1 T27971
[O-][N+](=O)c1cccc(c1)C(=O)C=C(Cl)Cl T27972
Cc1ccc(cc1)S(=O)(=O)\N=C1/C=C(Sc2ncn[nH]2)C(=O)c2ccccc12 T27973
O=C(COCCOCCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O T27974
C[C@@H]1CO[C@](O)([C@H](C)N1)c1cc(F)cc(F)c1 T27976
CC1=CC(=O)c2c(O)ccc(-c3ccc(O)c4C(=O)C=C(C)C(=O)c34)c2C1=O T27978
Oc1cc2ccc(=O)oc2cc1O T2798
O[C@@H](COc1ccccc1)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O T27981
[2H]\C(c1nc[nH]c1C(C)(C)C)=c1\[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O T27982
Cc1cc(C)cc(NC(=O)CN(c2cc(ccc2C)[N+]([O-])=O)S(C)(=O)=O)c1 T27983
Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc1ccccc1 T27984
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC T27985
NC(N)=NC(=N)Nc1cccc(Cl)c1 T27987
O=C(N/N=C/C1=CC=CC(O)=C1O)C2=CC=CC=C2O T27988
CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12 T27989
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C T2799
CC[C@@H](C(O)=O)c1ccc2cc(OC)ccc2c1 T27990
Cc1nc(N)nc2CC(C\C(=N/O)c12)c1ccc(F)cc1-c1cccnc1 T27991
FC1=CC=C(CC2=C(O)C=C(O)C(C(N3CC(C=CC=C4)=C4C3)=O)=C2)C=C1 T27993
OC(=O)c1ccc(cc1)-n1cccc1\C=C1\N=C(O)NC1=O T27994
Cc1ccc(\C=C2/CN(Cc3cn(Cc4ccccc4F)nn3)C\C(=C/c3ccc(C)cc3)C2=O)cc1 T27998
CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)c1ccc(o1)C1=NOC(=O)C1 T27999
CCNC(=O)CC[C@H](N)C(O)=O T2800
COC(=O)c1cc(F)ccc1S(Cl)(=O)=O T28000
Oc1ccc(Cl)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 T28001
Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12 T28003
[H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](Cc1ccccc1)SC(C)=O)C(O)=O T28005
COC(=O)[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(C)(C)C T28006
COc1ccccc1-n1cc2n(C)c(=O)n(C)c(=O)c2c1-c1ccccc1 T28007
Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 T28008
COc1c(C)nc(C)cc1OCc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T28009
COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O T2801
CC1=CC(O\C=C2/Cc3c(C2=O)n(C)c2cc(ccc32)-c2cccs2)OC1=O T28010
Cn1c(ncc1[N+]([O-])=O)-c1nnc(N)s1 T28011
N\C(Sc1ccccc1N)=C(/C#N)c1cccc(c1)C(O)c1ccncc1 T28012
COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(C#N)c1Cl)C(=O)OC(C)C T28013
[I-].C[N+]12CCC(CC1)C(CN1c3ccccc3Sc3ccccc13)C2 T28015
O=CN(C1C(=O)NC(=S)NC1=O)c1ccccc1 T28017
[H][C@]12CC(=O)CC[C@]1(CCN2C)c1ccc(OC)c(OC)c1 T28019
COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1cccs1 T2802
CC(C)c1ccc(cc1)C(=O)NC(=S)Nc1cc(ccc1Cl)C(F)(F)F T28020
OC1=CC=C(C[C@@H](C)[C@@H](C)CC2=CC=C(O)C(OC)=C2)C=C1OC T28021
COc1nc(N)nc2n(cnc12)[C@H]1CC[C@@H](CO)O1 T28022
CN(Cc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc2N=C(N)c3cccc1c23 T28023
CC(Cc1ccccc1)N(C)N T28024
CN(C)CCN(Cc1cccs1)c1ccccn1 T28026
O=C(O)CC[C@@H](C(O)=O)NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O.[H]O[H] T28027
COn1cc(CNC(=S)SC)c2ccccc12 T28028
Cl.Cn1sccc1=O T28029
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 T2803
Cl.COc1ccc2n3CCN(C)C4=NCCc(c34)c2c1 T28030
CCOC(=O)NP(=O)(N1CC1(C)C)N1CC1(C)C T28031
OC(O)(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F T28032
[H][C@@]12C(=O)C[C@@](N)(C(O)=O)[C@]1([H])[C@@]2(F)C(O)=O T28033
[H][C@@]12C[C@@H](OCc3ccc(Cl)c(Cl)c3)[C@@](N)(C(O)=O)[C@]1([H])[C@@]2(F)C(O)=O T28034
CC(C)(Oc1ccc(cc1)-c1nc2cc(Cl)ccc2s1)C(O)=O T28035
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12 T28036
C[C@@]12CC[C@@H]([C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 T2804
COn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12 T28040
[H][C@@]12Cc3[nH]c(=O)ccc3[C@](CC(C)=C1)(\N=C\c1cc(Cl)cc(OC)c1O)\C2=C\C T28041
COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(CC2CCN(CC2)C(=O)CO)CCO1 T28043
Cc1ccccc1NCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 T28045
OCCS(O)(=O)=O.CCOC(=O)Nc1cc2N[C@@H](C)C(=Nc2c(N)n1)c1ccccc1 T28048
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O T2805
CN1CCN(CC1)C(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)[N+]([O-])=O T28050
CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O T28052
CCS(=O)(=O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C T28053
OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 T28054
OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F T28056
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)C[C@@]2([H])N(C)C(=O)CC[C@]12C T28058
CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1 T28059
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Oc1cc(ccn1)C#N T28060
COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)CC(C)C1 T28062
CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccccc2)cc1OCC T28064
CC(C)(C)c1ccc(cc1)-c1noc(CCC(O)=O)n1 T28065
OC(=O)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1 T28067
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 T28068
CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1 T28069
OC(=O)\C=C\c1ccc(O)c(O)c1 T2807
C[C@H](N(C)C(=O)c1cc(COc2cccc(c2)C(C)=O)on1)c1ccccn1 T28070
O=C(NCCN1CCC2(CC1)N(Cc1cccnc1)CNC2=O)c1ccc2ccccc2c1 T28071
Oc1c(CN2CCN(CC2)c2ccccn2)cc(Cl)c2cccnc12 T28073
Oc1c(Sc2ccccc2)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc12 T28075
COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccc(C)cc23)ccn1 T28076
COc1ccc(C\C=C\c2ccc(O)c(OC)c2)cc1 T28077
Cc1ccnc(NC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1 T28078
Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl T28079
[H][C@]12C[C@@](O)(C(C)(C)C)[C@]34[C@@H](O)C(=O)O[C@@]3([H])OC(=O)[C@]14CC(=O)O2 T2808
NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl T28080
CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@]12C T28082
Cl.Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 T28085
Clc1ccc2CCc3ccccc3N(CCCN3CCC4(CC3)N3CCCCC3NC4=O)c2c1 T28086
CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1 T28089
CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12 T28090
CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1 T28091
O=CNC1=CC=CC2=C1N(S(=O)(C3=CC=C(OC)C=C3)=O)CC2 T28092
Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(F)c3)c(C)n2)s1 T28093
[H][C@@]12CC3=CC=C(O)CC3([C@H]1C)C(C)CCN2C[C@H]1CCCO1 T28094
Cc1ccc(CNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)n1C T28095
CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl T28097
CCOC(=O)C1=C(C)NC(=C(C1\C=C\c1ccccc1)C(=O)OCC)c1ccccc1 T28098
CNc1ncnc2n(cnc12)C1CC(OP(O)([O-])=O)C(COP(O)([O-])=O)O1 T28099
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C T2810
CNc1nc(Cl)nc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12 T28100
CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12 T28101
S=C=Nc1ccc(CCc2ccc(cc2)N=C=S)cc1 T28102
CC1=N\C(=N/Nc2ccc(Cl)c(c2)[N+]([O-])=O)C(COP(O)(O)=O)=C(C=O)C1=O T28103
O[C@@H]1[C@H](O)[C@@H](O[C@@H]1COP(O)(=O)C(F)(F)P(O)(O)=O)n1ccc(=O)[nH]c1=O T28104
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)c1cccc(Cl)c1)C(=O)NC T28105
Cl.O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1 T28107
CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccnc1 T28108
Fc1cc(N2C[C@H](CNc3ccon3)OC2=O)c(F)c(F)c1N1CCC(=O)C=C1 T28109
Cl.COc1ccc2c(c1)[nH]c1c(C)nccc21 T2811
CC(C)(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(O)=O T28110
CCCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 T28111
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1 T28112
Oc1ccc2[nH]cc(CCNC(=O)c3ccc4ccccc4c3O)c2c1 T28113
COC1=C(OCCN)C=C(N=C(N2CCCC2)N=C3NCCCCCN4CCCC4)C3=C1 T28114
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1 T28115
COc1cc2nc(nc(NCCCNC(=O)C=C)c2cc1OC)N1CCCC1 T28116
COc1cc(CNC(=O)CCCc2cccs2)ccc1O T28118
COc1ccc(Cn2c3c(nc4ccccn34)c3ccccc3c2=O)cc1 T28119
Cc1c([nH]c2cc(F)cc(F)c2c1=O)-c1ccc(cc1)N1CCC(F)(F)C1 T28120
CC1(C)C2CC1C(C=O)=CC2 T28122
COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1 T28124
C[C@H](Cc1ccc2O[C@H](COc2c1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 T28125
CC(C)(Oc1ccc(cc1)C1CCCc2ccccc12)C(O)=O T28127
NC(=O)N\N=C1/C=Cc2ccccc2C1=O T28128
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2N1C(=O)c2ccccc2C1=O)ccc3O T28129
COc1ccc(cc1)[C@@H]1Sc2c(ccc3ccccc23)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O T28130
C(C1=NCCN1)C1=Cc2ccccc2CC1 T28131
OC(=O)c1cc(ccc1Cl)-n1cccc1 T28133
CC(N1C(=S)S\C(=C/c2ccc(cc2)N(C)C)C1=O)C(O)=O T28134
C[C@@]12CCC[C@@]3([C@@H]1C[C@@H](O)[C@@]14CC[C@@H](C[C@@H]31)C(=C)C4=O)C(=O)COCC2 T28135
CN(C)c1ccccc1CS(=O)c1nc2ccc(C)cc2[nH]1 T28136
COC(=O)CCN(O)C(=O)CCCCCCCCN(C)C T28138
O=C(NC1=CC=C(Cl)C=C1CN(C(C2=C3C=CC=C2F)=O)C3=O)C4=NC=CC=C4 T28139
C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 T2814
O=C(O)CCCC1=CC=C(OCCN(C2=CC=CC=C2)C3=NC=CC=C3)C=C1 T28140
NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 T28141
NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 T28143
NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 T28144
Cl.Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 T28145
Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 T28146
CC(=O)NCC1CCC(CC1)OC1CCC(CC1)S(=O)(=O)CC1CS1 T28147
Oc1ccccc1-c1nnc(S)n1CC=C T28148
Sc1nncn1NCc1cccc(Br)c1 T28149
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O T2815
OP(O)(=O)C(CNc1ccccn1)P(O)(O)=O T28150
Nc1ccccc1CC(O)(P(O)(O)=O)P(O)(O)=O T28151
CC1(C)CCC(CC1)NC(=O)[C@@H](N)CCC(O)=O T28152
COc1ccnc2[C@@H](CCCCc12)S(=O)c1nc2ccccc2[nH]1 T28156
[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCCC(C)(C)C5[C@@H](O)[C@H](O)[C@@]34C)[C@@]1(C)CC[C@@H]2C(C)(C)O T28157
CS(O)(=O)=O.CC1(C)CC(C)(C)CC(C)(N)C1 T28158
COc1cc2CC(C)=NN=C(c3ccc(N)cc3)c2cc1OC T28159
Oc1ccc2c(oc(cc2=O)-c2ccccc2)c1O T2816
Cl.CCCN(c1ccncc1F)n1cc(C)c2ccccc12 T28160
O=S(C1=CC=C(C2=CC=C3N=CC=C(NC4=NC=C(Cl)C=N4)C3=C2)C=C1)(N5CCOCC5)=O T28162
COc1ccc(cc1OCCCCOc1ccccc1)[C@@]1(CC[C@@H](CC1)C(O)=O)C#N T28163
CCCCCCN(C)CCC[C@](C#N)(C(C)C)c1cc(OC)c(OC)c(OC)c1 T28164
Fc1ccc(cc1)C1C(N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 T28165
CCC(=O)N(C1CCN(CCc2ccccc2)CC1F)c1ccccc1 T28166
CC[C@@H]1SC2(CCN(C)CC2)NC1=O T28168
C[C@H](NC(=O)c1c(C)cc(cc1C)-c1cccc(N[C@H](C)c2ccc(Cl)c(C)c2)c1)C(O)=O T28169
Cc1c(O)c(cc2cc(C(=O)Nc3ccc(O)c(c3)C(O)=O)c(=O)oc12)[N+]([O-])=O T28170
[O-][N+](=O)c1cnc(s1)N1CCNC1=O T28174
[O-][N+](=O)c1cccc2[n+]([O-])onc12 T28175
CCN(CC)Cc1nccn1-c1ccc(cc1C(=O)c1ccccc1Cl)[N+]([O-])=O T28176
CCOC(=O)C(=C)C(O)c1ccccc1Cl T28178
COc1cc(cc(OC)c1OC)-c1nnc(s1)-c1c[nH]c2ccccc12 T28179
COC(=O)c1ccc(O)c(OC)c1 T2818
C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1 T28180
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2[nH]1 T28182
COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1 T28183
Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CCCC1 T28184
CNC\C=C(\c1ccc(Br)cc1)c1cccnc1 T28186
CCCCCC(C)C(C)c1cc(O)c2C(=CC(C)(C)Oc2c1)c1ccncc1 T28187
Cl.Cl.CNCCNc1ccc2n(CCNCCO)nc3-c4cnccc4C(=O)c1c23 T28189
COC(C=Cc1ccc(O)cc1)=O T2819
CNC(=S)NCO T28190
CCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)NC1CC1 T28191
CC12CC(CC(C)(C)C1)N(C2)c1ncnc2[nH]cnc12 T28192
CC(C)Oc1ccc(cc1)C(CCN(Cc1ccc(cc1)N(C)C)C(=O)CCl)c1ccccc1 T28193
Nc1nc(NCCc2ccccc2)c2nc[nH]c2n1 T28194
Oc1ccc(Cl)cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F T28195
Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 T28196
CCO\N=C(/C)c1ccc2n(cnc2c1)-c1cccc(c1)-c1cccnc1 T28197
CN(C)C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1-c1nn[nH]n1 T28198
N#Cc1cccc(c1)-c1nc(no1)-c1cccnc1 T28199
COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc(O)cc1)c2=O T2820
Cl.CC(N)CC12CC3CC(CC(C3)C1)C2 T28200
OC(=O)c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1 T28201
Cl.COC(=O)[C@@](C)(N)Cc1ccc(O)cc1 T28202
[Cl-].Cc1c2cccc3[S+](Cc(c23)c2c(Sc3ccccc3)cccc12)c1ccccc1 T28203
Cc1cccc(NC(=S)NCCc2ccccn2)c1 T28204
COc1ccc(NCc2c(O)ccc3ccccc23)cc1 T28205
Oc1ccccc1C(=O)\C=C\c1cccnc1 T28206
CCOC(=O)/C=C/c1cc(c(cc1)O)OC T2821
N#CSCC1COc2ccccc2O1 T28210
CC(C)C(O)C(=O)N([C@@H](C)C(=O)O[C@@H](C(C)C)C(O)=O)C(=O)[C@H](C)NC(=O)OC(C)(C)C T28211
Oc1c(Br)cc(CCNC2=CC(=O)c3cccnc3C2=O)cc1Br T28212
OC(=O)c1ccccc1C(=O)c1ccc-2c(Cc3ccccc-23)c1 T28213
CCOC(=O)C(=CNc1ccccc1Cl)C(=O)OCC T28214
COc1ccccc1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O T28217
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 T28218
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O T28221
O=C1NC(CN1C)=O T28222
CCOC(=O)c1c(oc2ccc(Oc3c(ncn3C)[N+]([O-])=O)cc12)-c1ccccc1 T28223
Cc1ccnc(NC(=O)CSc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c1 T28224
OC(=O)CCC(O)=O.Nc1c2CCCCc2nc2CCCCc12 T28226
OCCN(CCO)CCCCc1ccc(COc2ccccc2)cc1 T28227
Cc1cc(O)cc2cc3C(O)CCC(=O)c3c(O)c12 T28228
N=C(NCC1=CC=C(Cl)C(Cl)=C1)NC(NCCCCCCCC)=N.[H]Cl T28229
Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 T28231
Nc1nc2n(C[C@H](CO)CCO)cnc2c(=O)[nH]1 T28234
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O T28235
C[C@H](O)C(O)=O.CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O T28236
[H][C@@]12CC[C@](O)(CCCO)[C@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C T28237
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F T28238
CC1=C(CCO\N=C(\c2ccccc2)c2cccnc2)c2cccc(OCC(O)=O)c2CC1 T28240
[H][C@@]12C[C@@]([H])([C@H](C\C=C/CCCC(O)=O)[C@H](C1)NC(=O)[C@H](O)C1CCCC1)C2(C)C T28242
OC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)cc1 T28244
COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 T28245
Clc1ccc(CNC(=O)CCC(=O)N2CCC[C@H]2C=O)cc1 T28246
Cl.[H][C@]12NC(=N)C[C@H](C)[C@@]1([H])[C@H]2Cl T28247
CS(O)(=O)=O.NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)S(N)(=O)=O T28248
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C T2825
COc1ccc(cc1OC1CCCC1)C1(CCN(CC(=O)NO)CC1)C#N T28250
CCCCC[C@H](OC)\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(O)=O)OC T28252
O=C(Nc1cccc2OCC(Oc12)c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1 T28253
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C3CCC(CCC)CC3)[C@@]1([H])CC(CCCCC(=O)OC)=N2 T28254
CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O T28255
COc1cccc2N(CCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)CCc12 T28256
CC(C)NC(=O)C[C@H]1CCCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc12 T28257
OC(=O)\C=C\C(O)=O.FC(F)(F)c1ccnc(c1)N1CCN(CCCCN2CCCC2=O)CC1 T28258
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOC(C)(C)C1 T28259
COc1cc(c(cc1C=O)OC)OC T2826
Cl.COc1ccc2[C@H]([C@@H](CN(C)CC(O)=O)CCc2c1)c1ccccc1 T28260
CCc1c([nH]c2ccc(F)cc12)C(=O)NCCc1ccc(cc1)N(C)C T28261
OC(=O)\C=C\C(O)=O.CCc1c([nH]c2ccc(Cl)cc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 T28262
[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3[C@H](C)C[C@@]21[H])c1ccc(cc1)N(C)C T28263
[H][C@@]12CC[C@@]3(OCCC3=C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)=O T28264
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc2OCOc2c1 T28265
Cl.NC1C=CC2CC1Cc1ccccc21 T28266
[H][C@]12N(CCC[C@]1(C)COC)CCc1c2oc2ccccc12 T28267
COc1c(O)ccc(\C=N\Nc2ccc(cc2)C2=NNC(=O)C[C@H]2C)c1[N+]([O-])=O T28268
NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 T28269
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O T2827
Cl.C(CNC[C@H]1COc2ccccc2O1)COc1ccc2OCOc2c1 T28270
C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl T28271
OP(O)(O)=O.Fc1cc(ccc1[C@H]1CCc2cncn12)C#N T28272
CC1(C)CC(CC(C)(C)N1O)OC(=O)C1CC1 T28273
Clc1ccc(CCCCNC(=N)SCCCN2CCCCC2)cc1 T28275
O=C1N(CCN2CCOCC2)C(O)C(Cl)=C1Cl T28276
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NO)c2c1 T28278
COc1ccc2OCC(C)(C)C=C(\C=C\C(\C)=C\C(O)=O)c2c1 T28279
CCCCCCCCCCC(C(O)=O)C1(CCC(=O)O1)C(O)=O T2828
CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O T28280
Cn1cc(\C=C2\C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2ccccc12 T28281
COc1cc2[nH]c(C)c(CCN3CCN(CC3)c3ccccc3)c2cc1OC T28282
COC(=O)[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 T28283
CC(=O)c1cc(c(Sc2ccccc2)s1)[N+]([O-])=O T28284
CC(Cl)C(=O)Nc1ccc(nc1)C#N T28285
CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(F)(F)F T28286
Cl.Cl.Nc1nc(N)c(nc1Cl)C(=O)NC(=N)Nc1ccc(cc1)\N=N\c1ccccc1 T28287
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C T2829
CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CC(O)=O)c2C T28290
OC(=O)\C=C/C(O)=O.C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 T28293
CC(C)n1c2ccccc2n2cnc(-c3noc(n3)C3CC3)c2c1=O T28294
Cl.Clc1ccc(CCCOc2n[nH]c(=O)c(Br)c2NCc2cccnc2)cc1 T28296
Cl.CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 T28297
N#C/C(C1=CC=C(C(O)=O)C=C1)=C\C2=CN(C3=C2C=CC(Cl)=C3)CC4=CC=C(F)C=C4 T28299
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O T2830
FC(C=C1)=CC=C1CN2C3=CC=CC=C3C4=C2CN(C(NC5=O)=O)C5C4 T28301
CCCNC(=S)NC12CC3CC(CC(C3)C1)C2 T28302
Clc1ccc2ccc(nc2n1)N1C(CC(=O)N2CCC3(CC2)OCCO3)c2ccccc2C1=O T28303
C[C@@H]1CC(=O)CC(C)(C)[C@]1(O)C#C\C(C)=C/CO T28304
Cc1cccc(CN(CCC(O)=O)Cc2cccc(Oc3ccccc3)c2)c1 T28305
Oc1c(CCCOc2ccccc2)c(=O)oc2ccccc12 T28306
C\C=C\C=C\C=C\C(O)CC(OP(O)(O)=O)C(C)(O)\C=C\C1CC=CC(=O)O1 T28307
CC(O)(\C=C\C1OC(=O)C=CC1O)C(CC(O)\C=C\C=C\C=C\CO)OP(O)(O)=O T28308
C[C@@H]1N([C@@H](CCc2ccccc2)C(O)=O)C(=O)[C@@H]2Cc3ccccc3CN2C1=O T28309
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C T2831
CCN(CC)CCn1nc2c3c1ccc(NCCNCCO)c3sc1ccc(O)cc21 T28310
COC(=O)c1ccc(O)c2nc3c(C=O)c(O)c(C)c(O)c3nc12 T28311
CC1(O)Cc2ccc3C(=O)c4c(O)cccc4C(=O)c3c2C(=O)C1O T28312
O=C(N(C)[C@H]1[C@H](N2CCCC2)CCCC1)CC3=C(C=CS4)C4=CC=C3 T28313
CCNCC1CCN(C1)c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 T28314
CCCN1CCC=C(C1)c1csc(N)n1 T28315
OS(O)(=O)=O.O=c1ccc2ccc(OCCCN3CCN(CC3)c3ncccn3)cc2o1 T28316
NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T28317
O=c1ccoc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12 T28318
Nc1nc(cs1)C1=CCCN(CC=C)C1 T28319
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O T2832
CCN(CC)CCn1nc2c3c1ccc(NCCN)c3sc1ccc(O)cc21 T28320
CCOC(=O)C1=C(CS(=O)(=O)c2ccncc2)NC(C)=C(C#N)C1c1ccccc1C(F)(F)F T28321
Cc1cc(Cn2cnc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N T28322
Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)n[nH]1 T28325
Nc1nc2ccc(CN(CC#C)c3ccc(cc3)[N+]([O-])=O)cc2c(=O)[nH]1 T28326
Br.[O-][N+](=O)c1nccn1CCCNCCBr T28327
C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C T2833
CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C T28332
CC(C)(N)C1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T28333
CC(N)C1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F T28334
OC(=O)C(O)=O.COc1cccc(c1)C#CCO\N=C1\CN2CCC1C2 T28336
CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 T28339
COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 T2834
CCN1CCCC(C1)Nc1nc(nc2ccc(I)cc12)C(F)(F)F T28344
Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O T28345
Cl.Cl.[H][C@@]12CC[C@]1([H])C[C@@](CN)(CC(=O)OC)C2 T28346
OC(=O)c1cccnc1Nc1ccc2CN(Cc2c1)c1ccc(Cl)c(Cl)c1 T28347
N=C1Sc2ccccc2C2=NCCCN12 T28348
OCc1ccc(cc1Cl)N1CCN(Cc2nc3ccccc3[nH]2)CC1 T28349
Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O T2835
CN(C(=O)c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1 T28350
CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O T28351
C[C@H](Nc1nc2n(ncc2c(=O)[nH]1)C1CCCC1)c1ccc(Cl)cc1 T28352
CCCCCCCCCCCCCCCc1cccc(OCC(=O)NCCO)c1 T28353
[Br-].c1ccc(cc1)C#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 T28357
Cc1cc(cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1)-n1ncc(=O)[nH]c1=O T28358
Cl.COc1ccc(CCC2=NCCc3cc(C)ccc23)cc1OC T28359
COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O T2836
CCOCCn1nc(C(=O)NS(C)(=O)=O)c2nc(nc(Nc3cc(C)ccn3)c12)N(C)CC T28360
CNC(=O)Cn1nc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1 T28361
Cc1c(Oc2cc(C)c(C#N)c(C)c2)c(nn1CS(C)(=O)=O)C1CC1 T28362
[H][C@@]12CN(C)C[C@]1([H])C2CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cn(C)cn1 T28364
[H][C@]12SC(S[C@H]3CCS(=O)C3)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(=O)OCOC(=O)C(C)(C)OCC T28365
Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1 T28366
COc1ccc2c(ncnc2c1OC)[C@H]1CCc2ccc(Cl)cc12 T28367
Cl.[O-][N+](=O)c1cccc(Cl)c1CBr T28368
C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C(F)(F)F)c2)c2cncnc12 T28369
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 T2837
CC(C)NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C#N T28370
CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12 T28372
COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCC(O)=O)c1=O T28373
CC(C)(OC1=CC=C(C2=CC(C3=CC=C(Cl)C=C3)=C(N)N=C2)C=C1)C(O)=O T28375
CC(C)(OC1=CC=C(C2=CC(C3=CC=C(Cl)C=C3)=C(N)N=C2)C=N1)C(O)=O.[H]Cl T28376
O=C1N([C@@H]2[C@@H](O)COCC2)CC3=C1C=C(CC4=CC=C(C5=COC=N5)C=C4)C(C)=C3 T28377
CC[C@@H](C)c1cccc([C@H](C)CC)c1O T28378
CCCCC[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCCO)cc2)C(=O)O1 T28379
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 T2838
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl T28380
Cl.CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 T28383
CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 T28384
CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H](C)N[C@H]1C[C@H](C1)C(O)=O T28385
CC(C)(C)c1ccc(cc1)C(Cn1cccc(c1=O)C(F)(F)F)NC1Cc2ccccc2C1 T28386
CNC(=O)c1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 T28387
Fc1ccc(Nc2ncnc3cc(OCC#C)c(NC(=O)C=C)cc23)cc1Cl T28389
Cc1cc(O)cc(O)c1C(O)=O T2839
[H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2C)c1ccc(F)cc1F)c1cc(C)no1 T28390
CC(C)NC[C@H](O)COc1ccc(COC[C@H](CO[N+]([O-])=O)O[N+]([O-])=O)cc1 T28391
Cc1ccc(cc1)-c1nnc(O)c2Nc3nnnn3C(c3cccc(O)c3)c12 T28392
Oc1cccc(c1)C1c2c(Nc3nnnn13)c(O)nnc2-c1ccccc1 T28393
Ic1ccccc1C(=O)Nc1nc2ccccc2n1Cc1ccccc1 T28395
O=C(Cc1ccccc1)Nc1c2CCN(Cc3ccccc3)c2nc2ccccc12 T28396
CC(C)(O)C(C)(O)c1ccc(Cl)cc1 T28397
CC(=O)c1c(O)cc(O)cc1O T2840
Cl.COc1ccc(CCNC(C)COc2c(C)cccc2C)cc1OC T28400
NC(=O)N[Hg]c1ccccc1 T28402
Cl.OC(CNc1ccccn1)c1ccccc1 T28404
CC(O)(CBr)CCOP(=O)(O[Na])OP(=O)(O[Na])O[Na] T28408
Cc1cc(C)cc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1 T28409
CC1=CC(=O)c2c(O)cccc2C1=O T2841
OS(=O)(=O)c1ccc(N\N=C2\C(=O)N(N=C2c2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1 T28410
CCCCCC[C@](C)(O)C(=O)C1=C[C@](NC1=O)(OC)C(C)C T28412
ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(=CC1)c1ccccn1 T28414
COc1cnc(CCn2ccc3c4ccccc4n4c3c2cc(=O)c4=O)c2n(OC)c3ccccc3c12 T28415
CC(Nc1ccccc1)c1cc(C)cc2c1oc(cc2=O)N1CCOCC1 T28416
Cl.Cl.NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1 T28417
CS(=O)(=O)OCCC(=O)N1CCN(CC1)C(=O)CCOS(C)(=O)=O T28418
NC1=NCC(CN2CCN(CC2)c2ccccc2)O1 T28419
COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 T2842
CC(C)(C)NCC(O)c1ccc(O)c(CO)n1 T28421
CC1=CC2=C(C=C1)N3C4=C2CCCC4NCC3 T28422
CCc1ccc(cc1)C1N(CCc2c[nH]c3ccccc23)C(=O)C(O)=C1C(=O)c1ccc(OC)cc1 T28423
O=C(N/N=C/C1=CC([N+]([O-])=O)=CC=C1O)C2=CC=C(O)C=C2O T28424
CCNC(=S)N\N=C\c1ccc(o1)-c1ccc(C(O)=O)c(Cl)c1 T28425
CN(N1CCOCC1)C(=O)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 T28427
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 T2843
Cl.Cn1c2ccncc2c2c(nc(nc12)N1CCCC1)N1CCCC1 T28430
CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 T28431
C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 T28432
Cl.O=C(Cn1c2ccccc2c2c(nc(nc12)N1CCCC1)N1CCCC1)N1CCCC1 T28433
O=C(Cc1ccc2ccccc2c1)Nc1cc([nH]n1)C1CC1 T28434
CCCN1CC(C2=CC=CC(S(=O)(C)=O)=C2)CCC1 T28435
CCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1cn2CCCCc2n1 T28437
[K+].CCCCC(O)c1ccccc1C([O-])=O T28438
CC(C)n1nc(-c2cccc(c2)C(=O)NC2=NCCS2)c2c(N)ncnc12 T28439
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O T2844
Cn1c2c3C(OCC(C)(C)n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccccc1F T28443
Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cccc(F)c1 T28444
O=C(NC1=CC=CC=C1OCC)CN2CCN(C3=CC=CC(C)=C3C)CC2 T28445
CCCCNc1nc2ccccc2c2[nH]n(-c3cccc(F)c3)c(=O)c12 T28446
CS(=O)(=O)OCCN(CCBr)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCCO T28447
CN(C)CCNc1nc(Nc2ccc(C)c(C)c2)c2cnn(-c3ccccc3)c2n1 T28448
Nc1ncnc2n(CCOC[P@@]3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cnc12 T28449
CC(C)=CCOc1c2occc2cc2ccc(=O)oc12 T2845
Cc1ccccc1OCC(O)CNCCn1cc(C)c(=O)[nH]c1=O T28450
Cl.CCC(=O)OC1(CCN(C)C1C)c1ccccc1 T28451
Cl.CCCC1(CCN(C)C1)c1cccc(O)c1 T28452
OC(=O)\C=C\C(O)=O.CCC(=O)N(C(C)CN1CCCCC1)c1ccccn1 T28453
CC(C)n1c2cc(C)ccc2c(nc1=O)-c1ccccc1 T28454
Cl.Cc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1 T28457
CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(o1)-c1ccc(Cl)cc1)c1nc2ccc(C)cc2s1 T28458
CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 T2846
CCCN(CCCCN1CCNCCC1=O)[C@@H](C)Cc1ccc(cc1)S(C)(=O)=O T28465
Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1 T28468
ClC1=C(N2CCCCC2)C(=O)c2cccnc2C1=O T28469
O=C1\C(Nc2ccccc12)=C1/Nc2ccccc2C1=O T2847
Fc1ccc(cc1)-n1sc2ncccc2c1=O T28471
FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1 T28472
COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC T28473
Brc1ccc(c2ccccc12)S(=O)(=O)NCc1ccccn1 T28474
COc1ccc2[nH]c3c(ccc4n(CCCN(C)C)nc(c34)c2c1)[N+]([O-])=O T28475
[O-][N+](=O)c1c(Cl)c(Cl)[nH]c1C1OCOc2c(Cl)cc(Cl)cc12 T28476
COc1ccc(cc1)-n1nc2c(c[nH]c3cc(OC)ccc23)c1=O T28479
COc1ccc2ccc(=O)oc2c1CC=C(C)C T2848
Cl.Oc1ccc(O)c(\C=C\c2ccc3ccccc3n2)c1 T28481
N[C@@H](CCS(O)(=O)=O)CSSC[C@@H](N)CCS(O)(=O)=O T28482
Fc1cc(c(Cl)nc1Cl)-c1cc(=O)n2[nH]c(c(-c3ccccc3)c2n1)C(F)(F)F T28483
C[Si]1(C)O[Si](C)(O[Si](C)(C)O[Si](C)(O1)c1ccccc1)c1ccccc1 T28484
O.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O T28485
Cl.Cl.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC=C)CC1 T28486
Oc1ccccc1\C=C\c1ccc2ccccc2n1 T28487
Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 T28490
O=C(N1[C@@H](C(NC2=CC=C(N3C(COCC3)=O)C=C2)=O)C[C@@H](O)C1)NC4=CC=C(Cl)C=C4 T28491
NC(=O)C(Nc1ccccc1[N+]([O-])=O)c1c(Cl)cccc1Cl T28492
C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S T28494
Cl.Clc1cc2CC[C@H](C(=O)N3CCSC[C@H]3CN3CCCC3)c2cc1Cl T28495
Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc(N2CC[C@@H](C2)C(O)=O)c2ccccc12 T28497
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F T28498
Nc1nc(=O)n(cc1F)[C@H]1CS[C@@H](CO)O1 T28499
[H][C@]1(OC(=O)c2c3OCOc3ccc12)[C@@]1([H])N(C)CCc2cc3OCOc3cc12 T2850
N#CCC(N1C[C@H](N(C)C2=C3C(NC=C3)=NC=N2)[C@H](C)CC1)=O T28500
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O T28501
CC(C)(c1ccc(OC[C@H](O)CO)cc1)c1ccc(OC[C@H](O)CCl)cc1 T28502
CN1C(=O)CS\C1=C/C(=O)Nc1c(C)cccc1Cl T28503
Cl.CCCCCCCCCCCCc1ccc(CCN2CCC[C@@H]2CO)cc1 T28504
CC(=C)CSc1nnc2c(n1)[nH]c1cc(Br)ccc21 T28506
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2[nH]ccc12)C#N T28507
Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F)c1Cl)-c1ccccn1 T28509
Oc1ccc2ccc(=O)oc2c1O T2851
Clc1ccccc1-c1cnc([nH]1)C1COc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 T28510
Cc1oc(nc1CCOc1ccc(CC2C(=O)NOC2=O)cc1)-c1ccccc1 T28511
Nc1nc(C(=O)N[C@H](CO)C(O)=O)c(N)nc1C(=O)N[C@H](CO)C(O)=O T28513
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC T28514
O.Cl.CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC T28515
OC(=O)[C@@H]1CCCN(CCC=C2c3ccccc3CCc3ccccc23)C1 T28516
Cl.[H][C@]12CCCN(CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC)C2 T28517
Cl.O=C1N(CCCCNCC2CCc3ccccc3O2)S(=O)(=O)c2ccccc12 T28518
Cl.Cn1c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2c(=O)n(C)c1=O T28519
COc1cc(OC)c2ccc(=O)oc2c1 T2852
COC(=O)C1=NC([N]2=C1CN(CC2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F T28520
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12 T28521
COc1c(O)cc2cc(C)oc(=O)c2c1O T28522
CS(=O)CCC(CO)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 T28523
[H][C@]12CC[C@]([H])(C[C@@H](C1)N1CCC3(CNC(=O)C3)CC1)N2C(=O)OCC T28524
NC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 T28526
CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O T28527
CN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1 T28528
C(COc1cccc(OCc2ccc3ccccc3n2)c1)Cc1nnn[nH]1 T28529
[H][C@@]12CC[C@H](C)[C@@]11C[C@@H](C(C)C)[C@@](O)(CC2=C)O1 T2853
CCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C T28530
Cl.O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccccc12 T28531
CC(C)c1[nH]n(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)nc(=O)c12 T28532
CCCCOc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC T28533
Cc1ccc(C)n1-c1ccc(cc1)C(=O)ON1C(=O)CCC1=O T28534
Cc1nc(SCC(=O)NCc2ccco2)c2c3CCCCc3sc2n1 T28535
OC(=O)C(F)(F)F.CCNc1ccc(cc1)-c1nc2ccccc2n2cccc12 T28536
CN1C2CCC1CC(C2)NC(=O)N1CC(C)(C)c2ccccc12 T28537
CCn1nc(C)c2NC(=O)CN=C(c12)c1ccccc1 T28539
CCCc1nc(C)n2[nH]c(=O)nc2c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T28540
[H][C@]12SC(COC(N)=O)=C(N1C(=O)[C@H]2[C@@H](C)O)C(=O)OCOC(C)=O T28541
Cl.COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1 T28542
COc1ccc(\C=N\NC(=S)NCC=C)cc1Cn1cc(cn1)[N+]([O-])=O T28543
CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N T28544
CC(C1=CN=C(S1)SC2=C(Cl)C=NC=C2Cl)=O T28546
CCOc1cc(O)c(C(=O)\C=C\c2ccc(OC)cc2)c(OC)c1 T28550
CC(C)C1=Cc2ccc3c(C)cccc3c2C(=O)C1=O T28551
C\C(\C=C\c1c(C)cc(O)c(C)c1C)=C/C=C/C(/C)=C/C(O)=O T28554
CC1(C)NC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F T28555
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1ccccc-21 T28556
CC1Cc2cc3OCOc3cc2-c2cc(=O)c(cn12)C(O)=O T28557
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21 T28558
O=C(NCCN)C1=CC=C(Cl)C=C1.[H]Cl T28559
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 T2856
CC(CCc1ccc(cc1)C(N)=O)N(CC(O)c1ccccc1)CC(O)c1ccccc1 T28560
[H][C@@]12CCN1C(=O)c1c(Cl)cccc1-n1cnc(C(=O)OCC3CC3)c21 T28561
COc1ccnc(CS(=O)c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)C4(C)C)c1C T28563
CCc1scc(C(=O)OC)c1N T28565
Clc1ccc2C3=C(CN=C(c4ccccc4Cl)c2c1)C(=O)NC3 T28566
CC(N)C(=O)N(CCCc1cccnc1)c1c(C)cccc1C T28567
NC(=O)c1ncn-2c1CN=C(c1ccccc1Cl)c1ccccc-21 T28568
CC(CCCc1cccnc1)NC(=O)c1ccc2nc3cccc(=O)c3cn2c1 T28569
OC(=O)c1cc(O)ccc1O T2857
O=C(C1CCC2=CC(C(C)=O)=C(OCCCCCOC3=CC=C(C(C)=O)C(O)=C3CCC)C=C2O1)O T28570
O=C(CCCCCCCCc1cccnc1)N1CCC(CC1)C=C(c1ccccc1)c1ccccc1 T28573
Nc1ncnc2n(cnc12)[C@H]1CO[C@@H](CO)C1 T28575
CNC1=Nc2ccc(Cl)cc2C(=NC1)c1ccc[nH]1 T28578
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 T2858
CC(C)NCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 T28580
OC(=O)[C@H](CCc1ccccc1)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(O)=O T28581
Br.CCCCCCCCCCCCCCCCCCNCC(C)O T28582
CC1(C)C[C@@H](c2cc(ccc2O1)C#N)c1cccc[n+]1[O-] T28583
OC(=O)[C@H](CCc1ccc(O)cc1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O T28584
CN(C)CC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 T28586
NCCNC(=O)c1ncsc1-c1cccc(F)c1 T28587
CCCCCCCOc1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCS2(=O)=O T28589
COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O T2859
Cc1cc(cc(C)n1)-c1cc2n(C3CC3)c3cc(=O)n(O)c(=O)n3c2cc1F T28590
CCCN(CCC)Cc1nc(no1)-c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 T28591
[O-][N+](=O)c1cc2[nH]c(=O)n3[nH]c(=O)nc3c2cc1-n1ccnc1 T28592
Cc1ccc(cc1)C(=O)c1cc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c(O)c(c1)[N+]([O-])=O T28593
CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1 T28594
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1 T28595
CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C T28596
Cc1ncc(CN2CCC(=CC2)c2ccccc2)c(N)n1 T28597
COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)C[C@H]1CCCN(C1)\C=N\N T28599
COc1cc(CO)ccc1O T2860
Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F T28600
CC1(C)C[C@H](O)C[C@](C)(CNc2cccc(c2)S(N)(=O)=O)C1 T28604
CC1(C)C[C@H](O)C[C@](C)(CNc2ccc(Cl)c(c2)S(N)(=O)=O)C1 T28605
Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O T28606
[O-][N+](=O)c1cc(ccc1Cl)C1=N\C(=C/c2cccnc2)C(=O)O1 T28608
CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O T28609
OCCc1ccc(O)cc1 T2861
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)c1cccnc1 T28610
[H][C@]12O[C@]3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@@]21[H])C(C)=C T28611
CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCC=C1C(O)=O T28614
CC[NH+](CC)CC.Nc1ncnc2n(cnc12)[C@@H]1OC2CO[P@](S)(=O)OC2[C@@H]1O T28615
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC T28616
CC1=CNC(N(C1=O)CCCN2CCN(C3=C(C=CC=C3)OCC(F)(F)F)CC2)=O.Cl T28617
O=C(N(C)[C@H]1[C@H](N2CCCC2)CCCC1)CC3=C4C=CSC4=CC=C3 T28619
OC(=O)CCc1ccc(O)cc1 T2862
[H][C@@]12CC[C@@]([H])([C@H]([C@H](C1)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1)N2C T28620
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C T28621
Oc1ccc(Br)cc1C(=O)c1cc(C#N)c(=O)n(c1)-c1ccccc1Cl T28622
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)C=C[C@]12C T28623
[H][C@@]12CC(N)=N[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C T28624
CN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F T28625
COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCN2CCCC2)c(C)c1 T28628
O=C1N(C)C(CC12CCN(CCCC(C3=CC=C(F)C=C3)=O)CC2)=O T28629
OC(=O)\C=C\c1ccc(O)cc1 T2863
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 T28630
COC1(COc2ccccc2O1)C1=NCCN1 T28631
C[C@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(N)=O T28632
CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C T28634
Cc1c([nH]c2cccc(F)c2c1=O)-c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1 T28636
O=C(NCCN1CCN(C2=C3C=C(OC)C=CC3=CC=C2)CC1)C4=CC=C(F)C=C4.[H]Cl T28637
Fc1ccc(cc1)C(=O)CC1CCN(CCOc2cccc3OCCOc23)C1 T28638
OC1=C2C[C@@H](N(CCC)CCC)CCC2=CC=C1.[H]Br T28639
Cl.[H][C@@]12Cc3ccccc3-c3c4OCOc4cc(CCN1CCC)c23 T28640
COc1ccc2cccc(N3CCN(CCNC(=O)c4cccs4)CC3)c2c1 T28641
C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 T28642
CC(Nc1ccc(F)c(c1)-c1cc(C)c(C(=O)NC2(CC2)C(O)=O)c(C)c1)c1ccc(Cl)c(C)c1 T28643
O=C(NCCc1cccc2ccccc12)C1CCC1 T28644
CCc1ccc2scc(CCNC(C)=O)c2c1 T28645
COC(=O)C1=C(C)Nc2scc(CC(C)C)c2[C@H]1c1cccc(c1)[N+]([O-])=O T28646
[H][C@]12CN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)C[C@]1([H])c1cc(ccc1OC2)C#N T28647
CC[C@@]1(O)C(=O)Cc2c1cc1-c3nc4cc5OCOc5cc4c(C4CCC4)c3Cn1c2=O T28648
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O T2865
CN(C)C1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO T28650
[H][C@@]12C[C@@]([H])([C@H](NC(=O)c3csc4ccc(O)cc34)[C@@H](C\C=C/CCCC(O)=O)C1)C2(C)C T28651
COc1ccccc1N1CCN(CC1)c1ncnc2[nH]nc(Br)c12 T28652
C1Cc2ncc3nc([nH]c3c2CO1)-c1ccon1 T28653
Cl.CO\N=C(/C#N)[C@H]1CN2CCC1CC2 T28654
OC(COc1ccc(F)cc1)CN1CCC(CC1)NCc1nc2ccccc2s1 T28655
NC(=N)NC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccc[nH]2)c(c1)C(F)(F)F T28656
O.COc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](F)[C@H](O)[C@H]3O)n[nH]c2C(F)(F)F)cc1 T28659
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O T2866
NC(Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O T28660
[H][C@@]12Cc3c(CN(C)OC)ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 T28661
CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1 T28662
CN(CC(N)=O)C(=O)N(CCCl)N=O T28663
FC(F)(F)C(F)(F)C(F)(F)COc1ccnc(CS(=O)c2nc3cscc3[nH]2)c1 T28665
CS(O)(=O)=O.N#Cc1ccc2Oc3ccccc3C3=C(CCN(CC4CCCC4)CC3)c2c1 T28666
Cl.CCCCCN1CCC(CCOc2ccc(Cl)c(Cl)c2)CC1 T28668
CC\C=C\C\C=C\C\C=C\CCCCCCCc1cccc(O)c1C(O)=O T28669
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1 T2867
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1 T28670
CN(\C=C/c1ccccc1)C(=O)[C@@H]1O[C@H]1c1ccccc1 T28671
CCCCN1CCC(COC(=O)c2cc(I)c(N)c3OCCOc23)CC1 T28672
COc1ccccc1OCCNCC(O)COc1ccc(O)c2[nH]c3ccccc3c12 T28673
NC(=O)N(O)[C@@H]1COc2cc(OCc3c(F)cccc3F)ccc12 T28674
COc1ccccc1OCCNCC(O)COc1c(O)ccc2[nH]c3ccccc3c12 T28675
CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 T28676
CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(-c2ccncc2)c2ccccc12 T28677
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1 T28678
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1 T28679
CN1[C@H]2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 T2868
Cc1cc2CCN(C(=O)Nc3cccc4ncccc34)c2cc1Cl T28680
Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 T28681
O[C@H](CNCCc1ccc(OCP(O)(=O)C2CCCCC2)cc1)COc1ccc(O)cc1 T28682
Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1 T28684
Cl.COc1ccc(CCNCCCNC(=O)c2ccc(cc2)[N+]([O-])=O)cc1OC T28686
NC1=NC=C(C2=C3N=CN(C(CC)CC)C3=NC(N4[C@H]5COCC4CC5)=N2)C=N1 T28688
Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 T2869
S=C1NC(C2=CC=NC=C2)=CN1 T28690
Cl.CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(O)=O)ccc1C#N T28691
CN(C)CCCOc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 T28692
COc1cc2CCN(C)CCc2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)s1 T28693
CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N T28695
O=C(NC[C@H]1[C@]2([H])CCCN2CC1)C3=CC(Cl)=C(N)C=C3OC.[H]Cl T28696
COc1cc([nH]c1\C=C1/C=CC=N1)-c1cc2cc(Br)ccc2[nH]1 T28697
C(CN1CCCC1)Oc1ccc(cc1)-c1ccccc1 T28698
CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC T28699
O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 T2870
Cc1nc(c(o1)-c1ccncc1)-c1ccccc1 T28702
CC(C)(C)c1cc2O[C@@H](C(=Cc2cc1Cl)C(O)=O)C(F)(F)F T28703
Cc1ccc(Cl)cc1S(=O)(=O)N1C(=O)c2ccccc2C1=O T28704
Oc1cc2C(CNCCc2cc1Cl)c1ccccc1 T28707
CS(=O)CC(=O)c1[nH]c2cc(Br)c(Cl)cc2c1-c1ccccn1 T28708
CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(F)F T28709
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O T2871
[H][C@]12SC(SCC)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(O)=O T28710
Cc1ccccc1C1=CCN(CCCn2nc3ccccn3c2=O)CC1 T28711
O[C@H](C#CC#CC#C)[C@@H]1OC(=O)O[C@H]1CCCCCCC(O)=O T28712
OC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(Cc1ccccc1)C(O)=O T28713
CC(=O)Oc1c(CC=C)c(=O)n(-c2ccccc2)c2ncccc12 T28714
CC1(C)OCC(COC(=O)C(Cc2ccccc2)N[C@@H](Cc2ccccc2)C(=O)NCCC(O)=O)O1 T28715
CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(N)c1 T28716
C[C@H]([C@](O)(Cn1cncn1)c1ccc(F)cc1F)S(C)(=O)=O T28717
Clc1cccc(c1)-n1c2CCCCc2c(=O)c2cccnc12 T28718
Oc1cc2C3C(CCc4ccccc34)NCCc2cc1Cl T28719
[O-]N1CC=C(C=C1)C(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 T28720
O[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccc(O)cc1)C(O)=O T28721
COc1ccc(cc1)S(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 T28722
OC1=CC=C2CCN(C)C[C@H](C3=CC=CC=C3)C2=C1 T28723
COc1cc2[C@H](CN(C)CCc2cc1Cl)c1ccccc1 T28724
[Na+].CC(O)C1C2SC(SCCOC(N)=O)=C(N2C1=O)C([O-])=O T28725
O[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O T28726
O[C@]1(C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ncccn1 T28728
CC1(C)CO[C@H](CC(O)=O)CN1 T28729
[H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2nc(Cc3ccc(cc3)C(F)(F)F)[nH]c12 T28731
Cc1cc(=O)n(C)c2C(=O)c3c(C(=O)c12)c(C)cc(=O)n3C T28732
ONc1ccc(cc1)S(=O)(=O)NCCOc1ccc2ccccc2c1 T28733
CC(C)c1ccc(Cn2ccc3c2ccc2nc(NC4CC4)nc(N)c32)cc1 T28734
O=C(N)C1=CC=C(COC2=C(Cl)C=C(Cl)C=C2N)C=C1 T28736
COC(=O)c1cc2c(cccc2[nH]1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 T28738
Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC(Cn1ccnc1)c1ccccc1 T28739
COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC T2874
Cl.Cl.C1CN2C(=N1)c1ccccc1C=C2c1ccc(cc1)N1CCCCC1 T28740
[H][C@@]12Cc3c(C[C@@]1([H])N(C)CCO2)c(OC)ccc3SC T28741
O[N+]([O-])=O.O=C1O[C@@]23C[C@@H](C=CC2=C1)N1CCCC[C@H]31 T28742
NC(=O)c1c[se]c(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T28744
CNC1CN(C1)c1cc(N)nc(CC(C)C)n1 T28746
O=C(NNC1=NC=CN=C1)/C=C\N2N=C(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)N=C2 T28747
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 T28748
Oc1ccccc1C(=O)N[C@@H]1COC(=O)C1=C T28749
O=c1ccc2ccc3occc3c2o1 T2875
CC(=O)N[C@@H]1CN(C2CCC(CC2)OCc2cccc(F)c2)C(=O)C1 T28750
CN1CCN(CC1)C(=O)C1CCN(CC1)c1cccc(c1)-c1nc2ccccc2n1C T28751
Cl.O=C1CCC(=NN1)c1ccc(Nc2ccncc2)cc1 T28752
CC1(C)[N+]([O-])=c2ccc(cc2=[N+]1[O-])[N+]([O-])=O T28754
CCCCCCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H](O)CO T28755
CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O T28757
NS(=O)(=O)c1ccc(O)c(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c1ccccc1 T28758
O=c1cc(oc2ccccc12)-c1ccccc1 T2876
[H][C@]1(CCCN1C(=O)C(F)(F)C1(O)CC(C)(C)CC(C)(C)C1)c1cc(COc2cccnc2)on1 T28760
CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 T28761
Cl.CC(C)CN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O T28763
OC1CC(C(=O)N1O)P(O)(O)=O T28764
CCNC(=O)Nc1ccc(cc1)S(=O)(=O)Oc1ccccc1CC T28765
[H][C@@]12CC[C@H](C(=O)Cn3nccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] T28766
CSc1scc2CC\C(=C/N(C)C)C(=O)c12 T28767
CN1CCC(CC1)c1cn(C)c2ccc(OS(=O)(=O)c3c(F)cccc3F)cc12 T28768
CCOC(=O)c1ncn-2c1[C@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C T28769
[C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O T2877
O=C(NCC#C)[C@@H]1CSC(=O)N1 T28770
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CC(=O)NC1=O T28771
C\C(=N/Nc1nc2ccccc2n1C)c1ccccn1 T28773
CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(\N)=N\O T28775
[H][C@]12OC[C@@]34CCCC(C)(C)[C@]3([H])CC[C@](C)(Oc3cc(C)cc(O)c13)[C@]24[H] T28776
Cl.C[Si](C)(CN1CCCCC1)Cc1ccc(F)cc1 T28778
COc1cc(CN(C)CCN(C)CCC(c2ccc(F)cc2)c2ccc(F)cc2)cc(OC)c1OC T28779
CS(O)(=O)=O.COc1c(N2CC(N)C3(CC3)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 T28780
CC(C)C[C@H](N1CC(Oc2ccccc2Cl)=CC1=O)C(=O)Nc1ccn(C[C@H](O)CO)n1 T28781
CCOc1nn(Cc2ccc(OCc3csc(n3)-c3ccccc3)cc2)cc1CCC(O)=O T28783
O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1 T28784
Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)C1(CC1(F)F)C(F)(F)F T28785
CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O T28786
COc1ccc2nc([nH]c2c1)S(=O)Cc1nccc(N2CCOCC2)c1Cl T28787
COc1ccc(SC)c2CCC(N)Cc12 T28789
c1cc(c(cc1c1c(c(=O)c2c(o1)cc(cc2)O)O)O)O T2879
Cl.CCCCCCCCNC(=N)c1ccc(cc1)C(=O)OCC1CCCCC1 T28790
Oc1cc2CCNCC(c3ccccc3)c2cc1O T28791
Br.CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1 T28792
Br.Oc1cc2C(CNCCc2c(Br)c1O)c1ccccc1 T28793
Cl.CCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccccc1C T28794
NA T28797
COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCC(F)(F)F)ccc12 T28798
Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1 T28799
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O T2880
Cl.CCCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1[C@@H](O)CCN1C(N)=N T28803
Cc1ccccc1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O T28804
N\N=C(/N)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 T28805
Cl.CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N T28806
O=C(NC1=CC=C(C2=NCCN2)C=C1)/C=C/C3=CC=CC=C3Cl T28807
O=C(NC1=CC=C(C2=NCCN2)C=C1)/C=C/C3=CC=C(C(C)C)C=C3 T28808
Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 T28809
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C T2881
CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C T28810
NC(NC(C1=C(N2CCCCCC2)N=CC=C1)=O)=N T28811
CCN(CC)CCN1C(=O)[C@@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl T28812
[Na+].Cc1nn(c(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1C#N)-c1ccccc1 T28813
Cc1nn(c(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1C#N)-c1ccccc1 T28814
[O-][Cl](=O)(=O)=O.CN(C)c1ccc(\C=C\c2cc([o+]c(c2)C(C)(C)C)C(C)(C)C)cc1 T28815
OC(=O)c1c(O)cccc1CCc1ccc2ccccc2c1 T28817
Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 T28819
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O T2882
Oc1c(ccc2ccccc12)-c1cc([nH]n1)-c1ccco1 T28821
FC(F)(F)c1cccc(c1)\N=C1/C(=O)N(c2ccccc12)c1cccc(OCCN2CCCC2)c1 T28822
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc(F)c(C(N)=O)c(N[C@H]2CCOC2)c1 T28824
Cc1nc(sc1CSc1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(cc1F)C(F)(F)F T28825
[Br-].CCOC(=O)C[N+]1(C)CCC(C1)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 T28827
CS(O)(=O)=O.NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 T28828
CC(C)(C)NCC(O)COc1cccc2CN(CCc12)C=O T28829
COc1cc(cc(OC)c1O)C(O)=O T2883
[Na+].[Na+].OP(O)(=O)CC(=O)NC(CC([O-])=O)C([O-])=O T28831
COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 T28832
Nc1nc(NC2CC2)c2ncn([C@H]3CO[C@@H](CO)O3)c2n1 T28833
COc1cc(O)cc2[C@@H](CCCCC[C@@H]3CCC[C@]4(CC[C@@H](C)O4)O3)OC(=O)c12 T28834
Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1 T28835
CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O T28836
OC(=O)c1ccc(Cn2c(SCc3ccccc3C#N)nc3ccsc3c2=O)cc1 T28837
OC1=CC=CC(SC2=CC=C(CC[C@@](CO)(OP(O)(O)=O)N)C(Cl)=C2)=C1 T28838
CCCCCCC(=O)c1cc(-c2ccc(CC(O)=O)cc2)c2nccn2c1 T28839
CCCCCCCCCCCCCCC=C(C([O-])=O)C([O-])=O T28840
[H][C@]12C[C@]([H])(O1)[C@H](C\C=C/CCCC(O)=O)[C@H](C2)\C=C\[C@@H](O)CCCCC T28841
NC(N)=NCCCC(CS)C(O)=O T28842
CC(C)(O\N=C(\C(=O)N[C@@H]1C(=O)N(OS(O)(=O)=O)C1(C)C)c1csc(N)n1)C(O)=O T28843
CCN(CC)CCNc1ccc(CNC=O)c2sc3ccc(OC)cc3c(=O)c12 T28844
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCC2CCCc3cccc1c23 T28846
NC1CCCC(C1)C(=O)Nc1ccc2[nH]ncc2c1 T28847
[Cl-].COc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1 T28848
OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O T2885
NC1CCN(CC1)c1cccc(Cl)n1 T28850
[H][C@]12C[C@H](CN(C)[C@]1([H])Cc1cccc(OC)c1C2)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O T28851
Cc1cc2nccn2cc1-c1nc(NCC(c2ccc[nH]2)c2ccccc2)c2ccccc2n1 T28852
O=C(Nc1nccs1)c1cccc2[nH]c(nc12)-c1ccccc1OCCN1CCOCC1 T28853
Cl.Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 T28856
FC(F)(F)c1cccc(C(=O)NC[C@@H]2CCCCN2c2ccccc2)c1Cl T28858
O=C1C(O)=CC(C(C)C)=CC=C1O T28859
Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc1nnc(s1)-c1ccccc1 T28860
CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 T28861
O=C(NCCCCN1CCc2ccccc2C1)\C=C\c1ccccc1 T28863
CC1\C(=C/OC2OC(=O)C(C)=C2)C(=O)c2c1c1cc(ccc1n2C)-c1scc2OCCOc12 T28864
Oc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)cc1 T28865
NNC(=S)Nc1ccc(cc1)-c1nnc(S)o1 T28866
Cc1cc(C)cc(NC=C2C(=O)CC(CC2=O)c2ccccc2)c1 T28867
CCOC(=O)Cn1c(C)c(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)c2ccccc12 T28868
CC(C)CCCCC(=O)C1[C@H](CO)COC1=O T28869
C[n+]1cccc(c1)C([O-])=O T2887
[Sr++].[O-]C(=O)CC([O-])=O T28870
Clc1ccc2CCC(C(=O)c2c1)c1cccnc1 T28871
O=C1C(CCc2ccccc12)c1cccnc1 T28873
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Cl)cc23)c1C T28874
Cl.Clc1ccc(cc1)C1CCc2ccccc2N(CC2=NCCN2)C1 T28875
COc1cc(CN(Cc2ccc(cc2)C(C)(C)C)C(N)=S)ccc1O T28876
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c(C)c1CCC(O)=O T28877
Cl.Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)N1CCNCC1 T28878
COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 T2888
CO[C@@]1(CN(C1=O)S(O)(=O)=O)NC(=O)[C@@H](C)NC(=O)CC[C@@H](N)C(O)=O T28880
COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O T28881
C1CNCCN1.Cc1ccc(cc1)S(=O)(=O)Oc1ccc(O)c(c1)S(O)(=O)=O T28882
C[N+]1(CCCS([O-])(=O)=O)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 T28883
Cn1ccc2c1[C@@H](O)CCN(CCCN1CCN(CC1)c1ccc(F)cc1)C2=O T28884
Cl.[H][C@@]12CC[C@H](CN3C(=O)CCC3=O)CN1CCN(C2)c1ncccn1 T28885
Cc1ccc(\C=N\NC(=O)c2n[nH]c3CCCCc23)cc1 T28886
CN1CCN(CC1)C(=O)OC1N(C(=O)C2=C1SCCS2)c1ccc2ccc(Cl)nc2n1 T28887
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c2c1 T28889
COc1ccc(\C=C\C(O)=O)cc1O T2889
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(SC)cc3)c2c1 T28890
C[C@@H]1O[C@@](\C=C\C2CC2)(c2c(NC1=O)ccc(F)c2F)C(F)(F)F T28891
COc1ccc(CCN(C(=O)C(N)=O)c2ccc(cc2)C(=O)c2ccc(OCC#C)cc2)cc1 T28892
OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 T28893
Cl.CN(CC#C)CC(=C)c1ccccc1 T28894
COc1ccc(CCNCC(O)c2ccc(O)c(O)c2)cc1OC T28895
Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 T28897
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc2Oc3ccccc3Oc2c1 T28898
CN(C)CCc1ccc(O)cc1 T2890
COCN1C(=O)N(COC)C(=O)C(C1=O)(c1ccccc1)c1ccccc1 T28900
O=C1NC(=O)C(C(=O)N1)(c1ccccc1)c1ccccc1 T28901
CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(F)cc3)ccc2C1 T28902
CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 T28903
CCS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccccc1)-c1ccc(F)cc1 T28904
C[C@H]1COCCN1c1nc(C)c(c(n1)-n1ccnc1)[N+]([O-])=O T28905
Cn1ccnc1CN1CCC(CC1)C(=O)NCc1ccnc(c1)N1CCOCC1 T28906
CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC\C2=C1\C(=O)Nc2ccc(F)cc12 T28911
COC(=O)C1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N T28913
CN(C)CC[C@@H]1CCc2cc(OCc3ccc(cc3)-c3ccccc3)ccc2C1 T28915
CCOC(=O)c1c(Cn2cncn2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 T28916
COc1ccc2NC(=S)C(CSC)N(C(=O)OC(C)C)c2c1 T28918
ClC1(Cl)C(C1c1ccccc1)c1ccccc1 T28919
Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)[C@@](C)(NCC(O)=O)C(=O)N1CCCC1 T28921
C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2-c3cnccc3OCn2c1-c1ccccc1 T28923
COc1cccc2[C@@H](OCCc12)C1=NCCN1 T28924
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 T28925
OC(=O)Cc1cnc(Cc2ccc(cc2)C(=O)NCCc2ccc(Cl)cc2)c2ccccc12 T28927
Cc1c(nc2O[C@H](COc3ccc(cc3)C(C)(C)C)Cn12)C(N)=O T28928
CC1(C)[C@@H]2CC[C@]3(C=C(C#N)C(=O)C=C3[C@@]2(C)C=C(C#N)C1=O)C#C T28929
CC1CCCCCCCCCCCCC(=O)C1 T2893
COC(=O)CC1N=C(c2cc(OC)ccc2-n2c(C)nnc12)c1cccc2[nH]ccc12 T28931
Cc1cc(Cc2ccccc2)n(O)c(=O)c1 T28932
COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1 T28934
CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(c1O)-c1ccc(Cl)cc1 T28937
CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1C T28938
CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3cc(Cl)cnc3[nH]2)c1C T28939
C1CC2C3C(C1O2)C(=O)OC3=O T2894
COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3c(C)cccc3n2)c1C T28940
CN1CCN(CC(=O)C2=NC3=C(CCC=C3)[N](=O)c3csc(C)c23)CC1 T28941
Cl.Cl.CNCCNc1ccc2n(CCNCCO)nc3-c4c(O)ccc(O)c4C(=O)c1c23 T28944
O=C1NOCC1/N=C/C2=CC=C(/C=N/C3C(NOC3)=O)C=C2 T28949
[C@H]12[C@@](CC[C@]3([C@@]4(CC[C@H]5C([C@H](CC[C@@]5([C@H]4CC[C@H]13)C)O)(C)C)C)C)(CC[C@H]2C(=C)C)C T2895
[H][C@]12CC[C@]([H])([C@H](COCC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C T28951
[H][C@@]12CCC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T28952
CNc1c2CCCCc2nn1C T28953
O=C([C@H]1NC[C@]2([H])CC[C@H](CCC3=NN=NN3)C[C@]2([H])C1)O T28955
CC[C@H](Oc1ccc(cc1)C(=O)c1cc(CCCC(O)=O)n2ccccc12)c1ccc(CC(C)C)cc1 T28956
Oc1ccc2c(CCCC(c3ccccc3)=C2c2ccccc2)c1 T28957
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)\C=C\c3ccc(F)cc3)cc2)s1 T28958
CCc1c2Cn3c(-c2nc2ccccc12)c(N)c1c(COC(=O)[C@]1(O)CC)c3=O T28959
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 T2896
Cl.COc1ccc2c3c1oc(=O)c1c(CCN(C)C)cc(OC)c(oc2=O)c31 T28960
CC(=C)CCNC(=S)Nc1ccccc1 T28961
C\C(C=C)=C/[C@@]1(C)SC(O)=C(C)C1=O T28964
Br.NCc1cc(=O)[nH]s1 T28965
Oc1cccc(=S)c2soc(=O)c12 T28967
CN(CCc1ccccn1)c1nc(nc2CCN(Cc12)C(=O)Nc1ccccc1)-c1ccncc1 T28968
CC(C)Oc1nc(nc2CCN(Cc12)C(=O)c1cn(C)cn1)-c1ccc(Cl)nc1 T28969
CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O T2897
Cc1csc(Cl)c1NC1=NCCN1 T28970
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1 T28971
Cl.OCCN1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O T28972
OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 T28974
Cl.Cn1cc(OCC(O)CNC(C)(C)C)c2ccccc2c1=O T28977
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc(I)c1 T28979
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12 T2898
COc1cc2CC(OS(=O)(=O)c2cc1OC)C(=O)NC(C)CC(C)(C)N(C)C T28980
C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S T28981
CC(C)C(=O)OC[C@]1(O[C@H]([C@@H](C)[C@@H]1OC(=O)C(C)C)n1ccc(N)nc1=O)N=[N+]=[N-] T28984
CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO T28985
O=C(NC(CC)CC)/C=C/C1=CC=C(OC)C=C1 T28986
CCOCn1c(SC2CCCCC2)c(C(C)C)c(=O)[nH]c1=O T28988
CC(C)(C)c1ccc(cc1)-c1nc(O)c2ccccc2n1 T28989
OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3ccc(O)cc3O2)[C@H](O)[C@@H](O)[C@@H]1O T2899
Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Cl)nc12 T28990
CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1 T28991
CN(C)CCNc1ccc2n(CCNCCO)nc3-c4cnccc4C(=O)c1c23 T28994
[H][C@@]12C=C[C@](O)(C#C)[C@@]1(C)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T28995
CNCCN1CCC(CC1)c1cc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)ccn1 T28996
COc1ccc(C(C)=O)c(O)c1 T2900
Cl.CC(C)(C)NC(CO)c1cc(Cl)c(N)c(c1)C(F)(F)F T29001
CCS([O-])(=O)=O.OC1(N=CN[n+]2ccc3ccccc3c12)c1ccc(Cl)cc1 T29002
NC1=C(N2CCN(C3=CC(C4=CC=CC=C4)=CC=C3)CC2)C=NC(N)=N1 T29003
C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C T29007
[Na+].OP([O-])(=O)OCC(Cl)(Cl)Cl T29008
OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O T2901
Cl.OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F T29010
CCC(=O)OC1(CC(C)N(C)CC1C)c1ccccc1 T29012
[H][C@@]12CC[C@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C T29013
Oc1cc2C(=O)C[C@@](O)(C(Cl)Cl)c2c(O)c1 T29014
COc1cc(cc(OC)c1OC)C(=S)N1CCOCC1 T29015
OCCN(CCO)CCOC(=O)c1ccccc1O T29016
COc1cccc(\C=C\C(=O)\C=C\c2cccc(OC)c2OC)c1OC T29017
OS(=O)(=O)c1ccccc1.CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N T29019
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 T2902
C1CN(CCN1c1ncccn1)c1nnc(cc1-c1ccncc1)-c1ccccc1 T29021
CCOC(=O)c1ccccc1OC(=O)CCCCCCCC(=O)Oc1ccccc1C(=O)OCC T29022
OC(=O)C(F)(F)F.CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO T29023
COc1ccc2c3CN4CCCC4Cc3c3cc(OC)c(OC)cc3c2c1OC T29025
[H][C@@]12CCCN1Cc1c(C2)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 T29026
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O T29027
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)C1SC(=O)NC1=O T29028
CC(C)C(=O)c1ccc(O)c(O)c1 T29029
OC(=O)\C=C/C(O)=O.CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1 T29030
[NH4+].CCCCCCCCCCOP(O)([O-])=O T29032
NOCC(O)=O T29033
CCCCC\C=C/C[C@@H](O)\C=C\c1cccc(C[C@@H](O)CCCCO)n1 T29034
CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N T29035
OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2ccc3ccccc3c2c1 T29036
CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl T29037
CCCc1nc(NCCO)nc(n1)N1CCOCC1 T29038
C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2 T2904
OS([O-])(=O)=O.O=c1cc(oc2c3ccccc3ccc12)-c1cc[nH+]cc1 T29040
FC(F)(F)c1ccc2n(-c3cccc(Cl)c3)c(=O)[nH]c2c1 T29041
C1CCNc2cc[n+](CCCCC[n+]3ccc(NCC1)c1ccccc31)c1ccccc21 T29042
[O-][N+](=O)c1ccc(OCCCCCN2CCCC2)cc1 T29043
COc1ccc(cc1)N(CCNC(C)=O)c1ccccc1 T29044
CCCCCC\C=C/CCCCCCCC(=O)OCC1CO1 T29045
CN1CCC(CC(=O)C2NC3=CC=CC(=O)C3Nc3cccc(Cl)c23)CC1 T29047
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T2905
CS(=O)(=O)Nc1ccc(cc1)C(O)CN1CCN(CC1)c1ccncc1 T29050
OC(=O)C(F)(F)F.NC(=N)c1ccc(\C=C2\N=C(OC2=O)c2ccccc2)cc1 T29051
CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O T29052
COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(Cl)cc1)C(O)=O T29053
Cc1ccc(O)c(c1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1ccc(F)c(F)c1 T29054
CC(C)(C)Cc1ccc(s1)C(=C/CCN1CCCC1)\c1ccccc1 T29056
CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O T29057
[Na+].CC(C)(O)CCC([O-])=O T29058
Cc1ccc(cc1)-c1csc2ncnc(N3CCCC3)c12 T29059
Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 T2906
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl T29061
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl T29064
Clc1cccc(C2CCN(CCCOc3ccc4scnc4c3)CC2)c1Cl T29065
Clc1cccc(N2CCN(CCCOc3ccc4scnc4c3)CC2)c1Cl T29066
Cc1c(Cl)cc(cc1NC(=O)NC[C@H](N)C(O)=O)S(O)(=O)=O T29067
CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CC1 T29068
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 T2907
Cn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(nc2n1)-c1ccc(F)cc1 T29071
OC(=O)c1ccc(OCC(F)(F)C(F)(F)F)cc1O T29072
CCCn1nc(C(C)C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 T29075
CCOC(=O)NP(=O)(N1CC1)N1CC1 T29076
[H][C@@]12CC[C@H]([C@H](C)CCC(=O)O[Na])[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C T29078
CCOc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCCCC2)cc1 T29079
CCCCCCCCCCCCCCCC(O)=O T2908
CCOC(=O)COc1ccccc1\C=C1/SC(=N)NC1=O T29080
CC(C)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cc(C)ccc1C T29082
O[C@@](CCc1ccccc1OC1CCOCC1)(C1CN2CC[C@H]1CC2)c1ccccc1 T29083
OC[C@@H](O)c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 T29084
CN1NC=C2CN(C(=O)c3ccc(CNC(=O)C4CC4)c(F)c3)c3ccc(Cl)cc3N=C12 T29085
Cl.CNc1nc(cs1)-c1c([nH]c2ccccc12)-c1ccccc1 T29087
COc1cc2ccc(=O)oc2c(O)c1O T2909
OCC(CO)N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T29090
CCCCCC[C@@H]1[C@H](CC(CCCCC)OC(=O)[C@@H](NC=O)C(C)C)OC1=O T29091
CCCCCc1ccc(cc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O3)c(=O)nc2o1 T29092
Cl.Cl.CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O T29094
Cl.Cl.CC(C)[C@H](N)C(=O)O[C@H]1C[C@@H](O[C@@H]1CO)n1ccc(N)nc1=O T29095
Cl.Cl.NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1 T29096
C(c1ccccc1)n1nnc2c(Sc3ncco3)ncnc12 T29097
[H][C@@]12C[C@@]3(CNC(=O)N3CCNS(C)(=O)=O)CCN1CCc1c2oc2ccccc12 T29098
Oc1c(oc2ccccc2c1=O)-c1ccccc1 T2910
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 T29101
OC(C(O)C(O)=O)C(O)=O.CCCCSc1nsnc1[C@@H]1CN2CCC1CC2 T29102
C[C@H](N)CN1CCc2ccc(Br)cc12 T29103
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C T29106
CC[C@]1(CO)CCCN2CCc3c([nH]c4ccccc34)[C@H]12 T29107
NC(=N)c1ccc2[nH]c(cc2c1)C(=O)Nc1cccc(c1)C(=O)NC(CC(O)=O)c1ccccc1 T29108
C1C(Nc2ccccc12)c1c[nH]c2ccccc12 T29110
Cc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1 T29111
Nc1scc(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F T29112
Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1 T29114
[K+].CC(C)n1c2sccc2c(O)c(C(=O)[N-]CCCN2CCCCC2)c1=O T29115
CC(CO)\N=C(/N)c1c(Nc2ccc(Nc3ccc(Br)cc3)cc2)s[nH]c1=O T29116
CC(CO)NC(=O)c1cccc(\C=C/CCCC(=O)N(C)C)c1 T29117
Cl.C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1C#N T29118
FC(C=C1)=CC=C1N2C=CC(OC[C@H](C)OC3=CC=CC=C3)=CC2=O T29119
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1C2=CC=C2[C@@]1(CC[C@@H](C2)O)C)C T2912
CCOc1ccc(NCC(=O)N\N=C\c2c(O)ccc3ccccc23)cc1 T29120
CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(C)cc1C T29121
CN1C(=O)NC(C(C(=O)OC2CCCC2)=C1C)c1cc2OCOc2cc1[N+]([O-])=O T29122
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1 T29123
O=C1NCCc2cc(ccc12)C#Cc1ccccc1 T29124
O\N=C1/C2CC2(Oc2ccccc12)C(=O)Nc1ccccn1 T29125
Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1 T29126
OC1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1cccc(F)c1 T29127
O=C(COCc1ccccc1)N1CCN(CC1)c1ccccc1C#N T29128
[H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl T29129
C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C T29130
Brc1c(OCC(=O)Nc2cccnc2)ccc2ccccc12 T29131
Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1 T29132
Cc1ccc(cc1C)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1 T29133
Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl T29134
Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1 T29135
C[C@@H](NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)O T29136
Cn1cc(cn1)-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1 T29137
Fc1cc(NC(=O)Nc2ccc(Cl)cn2)cc(c1)C#N T29138
O=C(C1=NC=CC=C1N)NC2=CC=C(N(C(C3=C4C=CC=C3)=O)C4=O)C(Cl)=C2 T29139
OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O T2914
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccccc3)cc(OC)cc2o1 T29140
O=C1C(C(N)=O)=CN(C2=CC=C(F)C=C2)C(C1=C3)=CC=C3CN4C[C@@H](C)O[C@@H](C)C4 T29141
Cn1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)n1 T29142
Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3c(F)cc(F)cc23)cn1 T29143
OC(=O)C(O)=O.Oc1c(CN2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 T29144
NC(=N)SCCCc1cnc[nH]1 T29145
NC(N)=NCCSC(N)=N T29146
COc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccn1 T29148
CC(C)N(C(=O)C1CCC(C)CC1)c1cc(sc1C(O)=O)-c1ccccc1 T29149
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O T2915
COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO T29150
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)n[nH]1 T29152
[H][C@@]12C[C@@]3([H])C[C@]1(C(O)=O)[C@]2([H])[C@@]3(N)C(O)=O T29153
CCc1cc(ccn1)-c1nc(C)c(COCc2ccc(Br)cc2)s1 T29154
CCCN(CCC)C(=O)C1Cc2sc-3c(c2C1)C(=NCc1nnc(C)n-31)c1ccccc1Cl T29155
Cl.C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccncc1 T29156
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])Cc3nc4nc5ccccc5n4cc3C[C@]12C T29157
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=Cc3nc4nc5ccccc5n4cc3C[C@]12C T29158
CN(C)\C=C\c1nc(nc(N2CCOCC2)c1C#N)-c1cccc(O)c1 T29159
C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3 T2916
CCOc1ccc2nc3cc(NCc4ccco4)ccc3c(N)c2c1 T29161
CC(C)N(C)c1nc2c(NC3CC4CC3CC4O)ncnc2n1C T29162
COc1cccc(CS(=O)c2nc3ccncc3[nH]2)c1 T29164
C1CC1Nc1nc(Nc2ccc3ncccc3c2)nc2[nH]cnc12 T29165
CC(=O)Nc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1 T29166
CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12 T29168
Cl.COc1cc2CCN3Cc4c(CC3c2cc1OC)ccc(OC)c4OC T2917
O=c1[nH]c2ncccc2c2ccccc12 T29170
COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl T29171
O=C(N1CCC(N(C(CNC(/C=C/C2=CC=CC(Cl)=C2)=O)=O)C)CC1)OC(C)(C)C T29172
Brc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)CN2CCCC2)cc1 T29173
O=C1N(C[C@@H]2CN(C(C)C)CCC2)C(C)=NC3=C1C=C(OC4=CC=C(F)C=C4)C=C3.[H]Cl T29174
Oc1ccc(\C=N\C2CCCCC2)c(O)c1 T29175
O=C1N(C2=CC(NC(/C=C/CN(C)C)=O)=C(C=C2)C)C3=C(C=CC4=CC=C(C5=CN(C)N=C5)C=C43)C=C1 T29176
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O T2918
OC(=O)CCc1ccc(OCC(O)=O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1 T29180
O.CCc1nc2c(CC)cn(Cc3ccc(cc3)-c3ccccc3-c3nnn([K])n3)n2n1 T29182
C[N+](C)(C)CCO.OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2cc3cccccc3c2)ccc1[O-] T29188
C=CCc1c(OCCCNCc2ccccc2)ccc2c3ccccc3[nH]c12 T29189
C1Oc2ccc(cc2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2OCOc2c1 T2919
[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1-n1ccnc1 T29192
CCOC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 T29193
Cc1ccc(Cl)cc1N1CCN(CCCCNC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 T29195
c1nn2c(nnc2s1)-c1ccncc1 T29196
Oc1ccc(NC(=O)c2ccc(cc2F)C2CC2)cc1 T29197
CCOC(=O)C1=C(C)NC(=N[C@H]1c1ccc(F)cc1Cl)c1c(F)cc(F)cc1F T29198
COc1cc2ncnc(NCCOc3ccccc3F)c2cc1OC T29199
[Na+].[O-]C(=O)Cc1ccc2CC(CNS(=O)(=O)c3ccc(Cl)cc3)Cc2c1 T29200
CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1 T29201
OC(=O)\C=C\C(O)=O.O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCCNc2c1 T29203
CCOC(NC(=O)c1ccc(Cl)cc1)C#N T29205
Cc1ccc2c(C(C[N+]([O-])=O)c3cccs3)c([nH]c2c1)-c1ccccc1 T29206
O=C1N(CC2=CC=C(C3=CC=CC=C3C4=NN=NN4)C=C2)C5=C(C(CC)=NC(CC)=C5)CC1.[H]Cl T29207
FC(F)(F)C1=C[C@H](C2=C(CCCC2=O)N1)c1cccc(c1)C#N T29208
Cl.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1 T29209
Cl.COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O T2921
Cl.CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2CCCCc2n1 T29211
Cl.CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 T29212
Oc1ccc(cc1O)[C@@H]1CNCc2c(O)c(O)ccc12 T29213
NA T29214
Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)-n1ccccc1=O T29215
CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1 T29216
NC(=O)c1ccc(N\N=C2\C(=O)N(N=C2c2ccccc2)c2ccc(cc2)[N+]([O-])=O)cc1 T29217
CN1CCc2c([nH]c3ccccc23)C1C1C(=O)NC(=O)N(C)C1=O T29218
O=C(COc1cnc2c(c1)c1cc[nH]c3c4ccccc4c(c13)c2=O)NCCc1c[nH]c2ccccc12 T29219
OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T2922
CN(C)[C@@H]1CCN(C1)c1cc(nc2ccnn12)-c1ccccc1 T29221
Cc1nc2ccccc2c(=O)n1\N=N\N(c1ccccc1)c1ccccc1 T29222
O[C@H](\C=C\[C@H]1[C@H](O)C[C@@H](Cl)C1C\C=C/CCCC(O)=O)C1CCCCC1 T29223
[H][C@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)=O T29224
CC(C)OC(=O)COC\C=C/CC1(C[C@H](O)C[C@H]1Cl)\C=C\[C@@H](O)C1CCCCC1 T29225
OC(\C=C\C=C\C1CCCC\C1=C/CCCC(O)=O)C1(CC#Cc2ccccc2)CCC1 T29226
CCOC(=O)c1ncc2[nH]c3cccc(OCc4ccccc4)c3c2c1COC T29227
CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC T29228
CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C T29229
CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O T2923
CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1COC T29230
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O T29233
CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(\C)=N\O)C1=O T29234
Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1 T29236
COc1cc2CCN(C)[C@@H]([C@@H]3OC(=O)c4c3ccc3OCOc43)c2cc1OC T29237
NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl T29238
Cl.CC(C)NC[C@H](O)c1ccc(cc1)[N+]([O-])=O T29239
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 T2924
COc1cccc2c(OC)c(C[C@H](O)C(C)C)c(=O)n(C)c12 T29240
Cl.[H][C@@]12Cc3ccc4OCOc4c3-c3cccc(CCN1CCC)c23 T29241
COc1cc2CCN(C)[C@H]([C@H]3OC(=O)c4c3ccc3OCOc43)c2cc1OC T29242
COc1cc2CCN(C)[C@@H](Cc3ccc(O)cc3)c2cc1OC T29243
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@@H](CO)C=C1 T29244
O[C@@H]1[C@H](C/C=C\CCCC([O-])=O)[C@@H](/C=C/[C@@H](O)COC2=CC=CC(Cl)=C2)[C@H](O)C1.[Na+] T29245
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1cccc(Cl)c1 T29246
[H][C@@]12[C@@H](O)[C@@H](CC[C@@]1(C)CCCC2=C)C(C)C T29247
[H][C@]12CC[C@](O)(C#C)[C@]1(CC)CC[C@@]1([H])[C@]3([H])CCC(=O)C=C3CC[C@]21[H] T29248
COC(=O)\C=C\C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O T29249
C[C@@H]1Cc2cc3c(c(c2c2c(c(c(cc2C[C@@H]1C)OC)OC)OC)OC)OCO3 T2925
COc1cccc2c(OC)c(CC(O)C(C)C)c(=O)n(C)c12 T29250
O=C1C=C(C)C2=C(O1)C(F)=C(OC(C(C)=C3C)OC3=O)C(F)=C2 T29251
Oc1c(Cl)ccc(-c2ccc(Cl)c(Cl)c2)c1Cl T29252
CCCCCCCC[C@H](C)C=O T29253
[H][C@@]12CC[C@H](C(=O)CC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C T29254
CCCCCC\C=C\CCC=O T29255
CC[C@@H](C)NC(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl T29258
NC(=O)CN1C[C@H](CC1=O)c1ccccc1 T29259
NCCC[C@@H](N)CC(O)=O T29260
Oc1cc2[C@H](CNCCc2cc1Cl)c1cccc2ccoc12 T29261
O[C@@H]([C@@H](O)C([O-])=O)C(O)=O.CC(C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 T29262
CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCCC(O)Oc1ccccc1CC=C T29265
C(CCCCC[NH3+])CCCC[NH3+].[ClH-].[ClH-] T29266
CCOCCCCCCCCCCOCC T29267
CCCCCCCCCC(OCC)OCC T29269
[Cl-].C[n+]1cccc(c1)C(O)=O T2927
CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC T29270
ClS(=O)(=O)c1cccc(c1)S(Cl)(=O)=O T29272
O(c1ccccc1)c1cccc(Oc2cccc(Oc3cccc(Oc4ccccc4)c3)c2)c1 T29273
OC(CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 T29274
CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC T29275
CCCCCCC1OCCC(C)O1 T29277
CC1CCOC(O1)\C=C\c1ccccc1 T29278
CC1CCOC(O1)c1ccccc1 T29279
O.C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O T2928
OCC1(C)COCOC1 T29280
CC1(COC(OC1)C2=CC=CC=C2)C T29281
CC1(OCCO1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T29282
C(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1 T29283
Nc1nc2NCC(CN(C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 T29285
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccc(O)cc45)C3CC12 T29286
Nc1nc(N)c2nc(CCSc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T29287
CCOC(=O)c1ccc(O)c(OC)c1 T2929
[H][C@]12[C@@H](CC[C@]1(C)[C@@H](O)C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C T29290
[H][C@@]12CN3C(=O)CCC[C@]3([H])[C@@]([H])(C1)C(=O)N1CCCC[C@@]21[H] T29291
Cl.O=C1CCCC2C3CC(CN12)C1CCCCN1C3 T29291L
[H][C@@]12CN3CCCC[C@]3([H])[C@@]([H])(C1)C(=O)N1CCCC[C@@]21[H] T29292
[H][C@@]12Cc3cn(C(C)=O)c4cccc(C1=C[C@H](CN2C)C(O)=O)c34 T29293
Nc1cccc2nc3ccccc3cc12 T29294
N[C@@H](CC(=O)OC12CC3CC(CC(C3)C1)C2)C(O)=O T29295
CCCCCCCCCCS(C)=O T29297
CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCN T29298
CCCCCCC(=O)c1ccncc1 T29299
O=C(O)CCCCC1SSCC1 T2930
CCC(C)(C)C1=C(C#N)C(=O)c2ccccc12 T29300
C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1 T29302
Cn1c2cccc([N+]([O-])=O)c2c(=O)oc1=O T29303
CN1CC=CC(C1)c1ccccc1 T29304
I.COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([C@@H]3C[C@H]12)n(C)c1ccccc41 T29305
O=NC12CC3CC(CC(C3)C1)C2 T29307
CCCCCCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C T29308
Nc1ccc(OCCCCCO)cc1 T29309
NC(CCCNC(N)=O)C(O)=O T2931
C\C(=C/c1ccccc1)[N+]([O-])=O T29310
OC(CN1CCCCC1)c1cc(on1)-c1cccc(O)c1 T29312
CC(C(O)=O)c1cccc(O)c1 T29313
CCC(C(CC)c1ccc(O)cc1C)c1ccc(O)cc1C T29315
CC(C)c1cc(C(C)C)c(O)c(c1)C(C)C T29317
CC1(C)COC(C)(OC1)c1ccccc1 T29320
CC(CCC(C)C=O)CC(C)(C)C T29321
CC1=N[C@@]2([C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)O1)C(=O)CO T29328
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T29329
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 T2933
CC(=O)c1cccs1 T29331
OS(=O)(=O)c1ccc2nc3ccccc3cc2c1 T29332
Cc1ccc(O)c(CC=C)c1 T29333
CC1N(C)C2CCC(C2)C1(C)C T29334
CC1NC2CCC(C2)C1(C)C T29335
CCCCCCCC[C@@H](Br)C=O T29336
CCCCc1[nH]c2cccc3C4=C[C@H](CN(C)[C@@H]4Cc1c23)C(N)=O T29337
Clc1ccc2C(=O)c3ccccc3C(=O)c2c1 T29338
CCCCCCCCCC(=O)OCCCl T29339
CCCCCCC/C=C/C(O)=O T29343
O=CC[C@H]([C@H]([C@@H](CO)O)O)O T29344
CCc1ccc(C)cc1O T29345
CCCCCCCCCC(CC)C=O T29346
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C T29347
Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O T29348
Nc1ccc(OCCCCCNC(=O)c2ccco2)cc1 T29349
NCCc1ccccc1 T2935
CCCCCCCC[C@@H](CCCCCC)C(O)=O T29350
CCCCCCc1c(C)cccc1O T29351
CCCCCCCC[C@H](O)C(O)=O T29352
CC(O)C(=O)c1ccccc1 T29353
CCCCCCCCCC(=O)OCCS T29354
COc1c(C)cccc1O T29355
C(CCCCC)CCC(C)C T29356
O=C1N[C@@]2(C(N1)=O)C[C@@H](C)OC3=CC=C(F)C=C23 T29357
[O-][N+](=O)c1ccccc1C=O T29358
CCCCCCCCCC1OCCO1 T29359
COc1cc(O)cc(OC)c1OC T2936
CCCCCCCC(C)=O T29360
CC1C2CCC(C2)C1(C)N T29361
CCC1(CC2CCC1C2)NC T29362
CNC1(C)C2CCC(C2)C1C T29363
CNC1(C)CC2CCC1C2 T29364
CNC1C2CCC(C2)C1(C)C T29365
CC1C2CCC(C2)C1(C)N(C)C T29366
[H][C@@]12CC3(O)C(=O)Nc4cccc(c34)C1=C[C@H](CN2C)C(=O)N(CC)CC T29367
OC1CCCCC1c1ccccc1 T29368
CC(\C=N\O)c1ccccc1 T29369
[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O T2937
CNC(=O)Oc1cccc(NC(=O)OCC#C)c1 T29370
OC[C@@H]1[C@H](C[C@H](N2C(C3=NC=CC=C3)=NC4=C2N=C(N)NC4=O)O1)O T29371
CCSc1ccc(CC(N)=O)nc1 T29372
CSc1ccc(CC(N)=O)nc1 T29373
NC(=O)C(=S)c1ccc2ccccc2n1 T29374
CC(C)(C)c1cccs1 T29375
Nc1ccc(OCCCCCNC(=O)c2cccs2)cc1 T29376
OC[C@H]1OC(C[C@@H]1O)n1cnc2c1nc1ncccn1c2=O T29377
[O-]C(=O)C(Cc1cccc(SSc2ccccn2)c1)=[N+]=[N-] T29378
CCO[Si](CCCN)(OCC)OCC T29379
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O T2938
Cc1cccc(c1)\N=N\c1cccc(C)c1 T29380
CC(=O)Oc1ccc(C)c(C)c1 T29381
O=C(NC1=CC=CC(C)=C1)CO T29382
CC(=O)c1cccc(c1)C(=O)c1ccccc1 T29383
CC1C2CCC(C2)C(C)(C)N1C T29384
CC1NC(C)(C)C2CCC1C2 T29385
CCC1C2CCC(C2)CN1C T29386
CC1C2CCC(C2)C(C)N1C T29387
CC1C2CCC(C2)CN1C T29388
[Na]OS(=O)(=O)C1CC(=O)N(OC(=O)CCN=[N+]=[N-])C1=O T29389
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C T2939
OC(=O)c1cc(CC(=O)NCP([O-])(=O)Oc2ccccc2)ccc1I T29390
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1Cl)C(=O)N[C@@H](CCC(O)=O)C(O)=O T29391
Cc1cc(O)ccc1C1(OS(=O)(=O)c2ccccc12)c1ccc(O)cc1C T29392
Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=S T29393
C\C(\C=C\C=C(/C)\C=C\c1cccc(c1)C1N=N1)=C/C=O T29395
CCc1cc(C)cc(O)c1 T29396
CCc1cccc(c1)-n1c(C)nc2ccccc2c1=O T29397
N[C@@H]([C@@H](F)CC(O)=O)C(O)=O T29398
Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1 T2940
Cc1ccc(C(O)=O)c(N)[n+]1[O-] T29400
[Na+].CC(CO)C([O-])=O T29401
CC(C)NC(=O)Oc1cccc(NC(=O)C(C)C)c1 T29404
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1cccc(O)c1)C(O)=O)N2C T29405
NNCc1cccc(O)c1 T29406
OC(CCCCCCC(O)=O)CC(O)=O T29407
CNC(C)C(O)c1cccc(O)c1 T29408
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(O)[C@@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C T29409
Cl.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O T2941
CCC1(NC(=O)N(C)C1=O)c1cccc(O)c1 T29410
CN(C1=CC=C(/N=N/C2=CC=CC(CO)=C2)C=C1)C T29411
O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1cccc([125I])c1 T29412
CCOCc1nc2c(N)nc3CCCCc3c2n1CC(C)(C)O T29413
CCCC(C)c1ccc(C)cc1O T29414
CC(=O)Nc1ccc(O)c(C)c1 T29415
CC(C)CC(=O)NCCC=O T29416
COc1cccc(Oc2ccccc2)c1 T29418
O=c1ccc2cc3ccoc3cc2o1 T2942
COc1nn(c(C)cc1=O)-c1cccc(Cl)c1 T29420
CC(C)(CCc1ccc(cc1)C(N)=O)NC[C@H](O)c1ccccc1 T29421
NCCC1=CSC=N1.[H]Cl.[H]Cl T29422
CN(C)c1ccc(cc1)\N=N\c1cccc(F)c1 T29423
Nc1ccc(cc1)S(=O)c1ccc(N)cc1 T29424
OC1=C(C(C)(C)C)C=C(SC2=CC(C(C)(C)C)=C(O)C=C2C)C(C)=C1 T29425
Cc1cc(O)c(Cl)cc1Cl T29426
CC(C)c1cc(C(C)C)c(O)cc1C T29427
CN1CCC2(CCN(C2)C(=O)c2ccc(F)c(c2)C(F)(F)F)CC1 T29428
Nc1cccc2cc3ccccc3nc12 T29429
OCc1ccc(C=O)o1 T2943
Cc1cn([C@H]2C[C@H](O)[C@@](CO)(O2)N=[N+]=[N-])c(=O)[nH]c1=O T29430
Cc1c(Cl)ccc(O)c1[N+]([O-])=O T29432
CCCCCCC(Cl)CCC T29433
COc1cc2Oc3ccc(CCC(=O)O[C@@H]4C[C@H]5CCCCN5[C@@H](C4)c2cc1O)cc3 T29435
CC(C)C[C@H](NC(=O)C(O)C(N)Cc1ccc(O)cc1)C(O)=O T29436
CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1 T29437
CC(C)C1OCOCC1(C)C T29438
[Na+].OC(Cc1ccc(O)c(O)c1)C([O-])=O T2944
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1ccccc1 T29440
CCCCCCCC(=O)c1ccc(O)cc1 T29442
OC[C@@H]1[C@H](C[C@H](N2C(/C=C/C3=CC=NC=C3)=NC4=C2N=C(N)NC4=O)O1)O T29443
CCCCCCCC\C=C\CCCOC(C)=O T29444
Oc1cccc(c1)C1(NC(=O)NC1=O)c1ccccc1 T29445
CN(C)C1CCc2c(C1)ccc(O)c2O T29446
CNC1CCc2c(C1)ccc(O)c2O T29447
Cc1ccc(NC(=O)c2cc(ccc2N2CCCCC2)N2C(=O)c3ccc(cc3C2=O)C(O)=O)cc1 T29448
COc1ccc(cc1)-c1cc(=O)c2c(OC(C)=O)c(OC)c(OC)c(OC)c2o1 T29449
CC(C)=C1C\C=C(C)\CC\C=C(C)\CC1=O T2945
Cc1cc2cc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C T29450
CCCCCC(=O)CCCC T29451
Nc1[nH]c(=O)ncc1C=O T29453
O[C@H]1CO[C@H](OC1)c1ccccc1 T29455
O[C@H]1CO[C@@H](OC1)c1ccccc1 T29456
[Na+].CCCCCC(O)CCCC([O-])=O T29457
COC(=O)Nc1nc2cc(ccc2[nH]1)C(O)c1ccccc1 T29458
OCC1(C)COCOC1 T29459
[Na+].Cc1c2c(oc1S([O-])(=O)=O)-c1ccc3c(CCCC3(C)C)c1C(=O)C2=O T2946
CN1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CNc2[nH]c(N)nc(=O)c12 T29460
COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(O)c2c(=O)c1OC T29462
OCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 T29463
Cn1c(N)nc2nc(O)c(cc12)-c1ccccc1 T29464
CCCCCC(=O)CCCC(O)=O T29465
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 T29466
O=C(C1=CC(C23C4=C(C=C(N(C)C)C=C4)C(C)(C)C5=CC(N(C)C)=CC=C25)=C(C=C1)C(O3)=O)O T29467
Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3C(O)=O)ccc2N2CCCCC2)cc1 T29468
OCc1c[nH]c2ccccc12 T2947
Cc1cccc(CC=C)c1O T29470
O\N=C1/CCN(c2ccccc2)c2ccc(Cl)cc12 T29471
CCCCCCc1ccc(C)cc1O T29472
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NO)ncnc12 T29473
Oc1ccc(cn1)C1=NCCC1 T29474
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)CC[C@]12C T29475
Nc1ccc(cc1)-c1nc2ccc(O)cc2s1 T29476
Nc1nc(=O)c2N(C=O)[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 T29477
Cc1cc(O)c(cc1Cl)C(C)(C)C T29478
Cn1cnc2n(C)c(=O)n(C)c(=S)c12 T29479
CCOc1cc(C=O)ccc1OC(C)=O T2948
C[C@@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](S)CC1=CC(=O)CC[C@@]31C T29480
Nc1c2CCCCc2nc2ccc(Br)cc12 T29481
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cnc2=O T29482
COc1cccc2C(=O)c3c(O)c4C[C@@](O)(CCc4c(O)c3C(=O)c12)[C@H](O)CO T29483
C[C@H](N(C(=O)[C@@H](N)CCCCN)c1ccc2c(C)cc(=O)oc2c1)C(N)=O T29485
CN(Cc1cnc2c(N)nc(N)nc2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T29486
COC12C3NC3CN1C1=C(C(=O)C(Nc3ccc(O)cc3)=C(C)C1=O)C2(CO)NC([O-])=O T29487
Fc1ccc(Oc2ccnc3c(Cl)cccc23)c(Cl)c1 T29488
CC(=O)CCCCCCC=C T29489
Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O T2949
Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@H](O)[C@H]1O T29490
OC(=O)CCCNCNc1ccc2ccccc2c1 T29492
CC(C)[C@H]1OC(=O)[C@@H](C)NC(=O)c2coc(C[C@@H](O)CCC=C(C)C=CCNC(=O)C=C[C@H]1C)n2 T29493
OC(=O)[C@H](Cc1ccccc1)NC(=O)CC1c2ccccc2-c2ccccc12 T29494
CNc1c(Cl)cc(cc1Cl)C(=O)NC1CC1 T29495
CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl T29496
OC(=O)C1Cc2cc3c(noc3c(Cl)c2O1)-c1ccccc1F T29497
O.[K+].[O-]C(=O)C1Cc2cc3c(noc3c(Cl)c2O1)-c1ccccc1F T29498
NC(=N)N\N=C\c1ccc(O)cn1 T29499
COc1cc2C[C@H](C)[C@@](C)(O)Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC T2950
CN(C)C(=O)O\N=C(\C#N)c1ccccc1 T29503
CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)OCCOCCOC T29504
CCOC1=CC=C([N+](C(C2=CC=C(OC)C=C2)=C3)=C4N3CCCCC4)C=C1.[Cl-] T29505
CC(C)n1n(C(C)C)c(=O)[nH]c1=O T29506
N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 T29507
C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 T29508
[H][C@@]12CN(c3cncc(c3)C#N)[C@]1([H])CNC2 T29509
Cl.CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl T29510
CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 T29511
CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12 T29512
CN(C)c1cncc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12 T29513
CCOP(=O)(OCC)SCC1CCC[N+]2(C)CCCCC12 T29514
CCCC(=O)C1=C(O)CC(O)CC1=O T29515
CC(=O)C1=C(O)CC(O)CC1=O T29516
NA T29517
O[C@@H](CNCCCCCCOCC(F)(F)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 T29518
FC(F)(F)c1cccc(NC(=O)c2cccnc2NCc2ccc(=O)[nH]c2)c1 T29519
CC1(C)C2CCC1(C)C(=O)C2 T2952
[H][C@@]12CCCN1CC[C@H]2NC(=O)\C=C\c1ccc(OC)cc1 T29521
O=C(NC1=CC=CC2=C1C=NN2)N[C@@H]3CCC4=C3C=CC(C(C)(C)C)=C4 T29522
Clc1ccc(cc1)\N=N\c1ccc(NCCCN2CCCCC2)c2CCCCc12 T29523
Cn1ncc2c(NC(=O)NCc3ccc(cc3CCC(C)(C)C)C(F)(F)F)cccc12 T29525
N[C@@H]1CCN(C1)c1cccnc1 T29526
Cl.[H][C@]12CN(C[C@@]1([H])NCCC2)c1c(F)cn2c(c1C)c(cc(C(O)=O)c2=O)C1CC1 T29527
CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C T29528
CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C T29529
Cl.Cc1nc(C)c(C)nc1C T2953
C[C@H](C#Cc1ccc(s1)C(O)c1ccc(F)cc1)N(O)C(N)=O T29530
Cl.Cc1c(N2CC[C@@H](N)C2)c(F)cn2c1c(cc(C(O)=O)c2=O)C1CC1 T29531
CC1(C)NC(=O)N(C[C@@H](COc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)N(O)C=O)C1=O T29532
CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 T29533
Cn1c2nc(Cc3ccccc3)n(CCN3CCOCC3)c2c(=O)n(C)c1=O T29535
Cc1ccc(CC(N)c2ccccc2)cc1 T29536
Cn1c2nc(Cc3ccccc3)n(CCNCCO)c2c(=O)n(C)c1=O T29537
CCNCCn1c(Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 T29538
Cn1c2nc(Cc3ccccc3)n(CCN)c2c(=O)n(C)c1=O T29539
OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O T2954
CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1 T29540
Cc1ccc(c(C)c1)C(C)(O)c1nc2ccccc2s1 T29541
NA T29542
O=C(NCCCC)/C=C/C1=CC=C(O)C(O)=C1 T29543
COC1=CC(=O)N(C)C(O)C1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N T29544
COC1=CC(=O)c2cc(C)oc2C1=O T29545
CCC(Br)(CC)C(=O)NC(=O)NC(C)=O T29546
CC(=O)NCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1 T29548
CC(=O)OC(CCOP(N)(=O)N(CCCl)CCCl)OC(C)=O T29549
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O T2955
Cl.CCCCOc1ccc(OCC(=O)N(CCN(C)C)c2cccc(OCC)c2)cc1 T29550
CS(=O)(=O)c1ccccc1CN(CCO)C(=O)C(Cl)Cl T29551
CC(=O)OCCN(Cc1ccc(cc1)S(C)(=O)=O)C(=O)C(Cl)Cl T29552
CSc1ccc(CN(CCO)C(=O)C(Cl)Cl)cc1 T29553
Cc1ccc(CN(CCO)C(=O)C(Cl)Cl)cc1 T29554
COc1ccc(CN(CCO)C(=O)C(Cl)Cl)cc1OC T29555
CS(=O)(=O)c1ccc(CN(CCO)C(=O)CCl)cc1 T29556
COc1cccc(NC(=O)CCl)c1 T29557
CC(=O)Nc1cc(C)cc(\N=N\c2cc(ccc2O)[N+]([O-])=O)c1O T29558
CCCCCCCCOc1ccc(N)cc1CS(=O)(=O)c1ccc(NC(C)=O)cc1 T29559
[H][C@@]12CC[C@@H](C)[C@]11C[C@]([H])(C2(C)C)[C@@](C)(CC1)OC(C)=O T2956
CC(=O)NCCCCCOc1ccc(N)cc1 T29560
Nc1ccc(OCCCCCNC(=O)C(Cl)(Cl)Cl)cc1 T29561
Nc1ccc(OCCCCCNC(=O)C(Cl)Cl)cc1 T29562
Nc1ccc(OCCCCCNC(=O)CC#N)cc1 T29563
Nc1ccc(OCCCCCNC(=O)COc2ccccc2)cc1 T29564
O=C(NCCCCCOC1=CC=C(N)C=C1)C2=CN=CC=C2 T29565
CC(=O)NCc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T29566
CCCCCCCCOc1ccc(N)cc1CNC(C)=O T29567
O=C(N(C1=CC=CC(OC)=C1)C(C)CN2CCCC2)COC3=CC=C(OCCCC)C=C3.[H]Cl T29568
CCCCOc1ccc(OCC(=O)N(C(C)CN2CCCCC2)c2cccc(OC)c2)cc1 T29569
COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)cc1OC T2957
Cl.CCCCOc1ccc(OCC(=O)N(CCN2CCCC2)c2cccc(OC)c2)cc1 T29570
Cl.CCCCOc1ccc(OCC(=O)N(CCN(CC)CC)c2cccc(OC)c2)cc1 T29571
Cl.CCCCOc1ccc(OCC(=O)N(CCN(C)C)c2cccc(OC)c2)cc1 T29572
Cl.CCCCOc1ccc(OCC(=O)N(CCN2CCOCC2)c2cccc(OC)c2)cc1 T29573
Cl.CCCCOc1ccc(OCC(=O)N(CCN2CCCCC2)c2cccc(OC)c2)cc1 T29574
Cl.CCCCOc1ccc(OCC(=O)N(CCCN(CC)CC)c2cccc(OC)c2)cc1 T29575
CC(C)N(Cc1ccc(cc1)S(C)(=O)=O)C(C)=O T29576
CCN(CC)CC(=O)N(C)c1ccc(O)cc1 T29577
OCCN(C(=O)C(Cl)Cl)c1ccccc1O T29578
OCCN(C(=O)C(Cl)Cl)c1ccc(O)cc1 T29579
[C@@H]1([C@@H]([C@@H](C[C@](C1)(C(=O)O)O)O)O)O T2958
CCN(C(C)=O)c1ccc(OCCCCCOc2ccc(cc2)N(C)C)cc1 T29580
CCCCCCCCOc1ccc(N)cc1NC(C)=O T29581
CS(=O)(=O)c1ccc(CN(CCOC(=O)CBr)C(=O)C(Cl)Cl)cc1 T29582
CS(=O)(=O)c1ccc(CN(CCOC(=O)C(Cl)Cl)C(=O)C(Cl)Cl)cc1 T29583
CCOP(=S)(OCC)SC(C(=O)OCCF)c1ccccc1 T29584
CC(C)=NNc1ccccc1 T29585
CC(=O)c1ccc(OCCCCCOc2ccc(N)cc2)cc1 T29586
Cl.CCCCCCCCOc1ccc(N)cc1C(C)=O T29587
CCCCCCCCOc1ccc(N)cc1\C(C)=N\NC(N)=S T29588
CCOC(=O)CSP(=O)(OCC)OCC T29589
C[C@H]1C[C@](C)(C[C@@H](C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O T29590
CCCC[Pb](CCCC)(CCCC)OC(C)=O T29591
CC(=O)c1ccc2[nH]cc(CCN)c2c1 T29593
C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T29595
CC(=O)N(c1nc2c(nc(N)[nH]c2=O)n1[C@H]1C[C@H](O)[C@@H](CO)O1)c1ccc-2c(Cc3ccccc-23)c1 T29596
CC(=O)O[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C[N+](C)(C)C T29598
CCN(CCCl)CCOC(C)=O T29600
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(O)=O T29602
[Na+].Oc1ccc2ccccc2c1\N=N\c1ccc(c2ccccc12)S([O-])(=O)=O T29607
[Na+].Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c(c1)S([O-])(=O)=O T29608
[Na+].[O-]C(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O T29610
CCc1c(Cl)n(CC=C)c(=O)n(CC)c1=O T29611
COC(=O)[C@H](COC(C)=O)NC(=O)N(CCCl)N=O T29612
Cl.CCOc1ccc(cc1)N=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1 T29613
Unknown T29615
Cl.CCN(CC)CCOC(=O)C1c2ccccc2N(C)c2ccccc12 T29616
c1ccc(cc1)-c1c2ccccc2[as]c2ccccc12 T29617
Cc1cc2cc3cc(C)c(N)cc3nc2cc1N T29619
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T2962
Cl.c1ccc2nc3ccccc3cc2c1 T29620
[N-]=[N+]=Nc1cccc2nc3ccccc3cc12 T29621
Nc1ccc2nc3cc(N)ccc3cc2c1 T29622
Nc1ccc2nc3ccc(Cl)cc3cc2c1 T29623
Oc1ccc2cc3ccc(O)cc3nc2c1 T29624
CCN(CC)C(=O)c1c2CCCCc2nc2ccccc12 T29625
[Na+].[O-]C(=O)\C=C/Cl T29626
Oc1cccc(C=NNC(=O)c2ccncc2)c1 T29627
CCNS(=O)(=O)c1ccc(cc1)C#N T29629
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]1[C@H]2[C@@H](C[C@H]2[C@@]1(CC[C@H](C2)O)C)O)O)C T2963
[Cl-].[Cl-].CC(C)(C)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 T29630
Cl.Cl.CCN1CCN(CC1)c1cc(-c2ccccc2)c2ccccc2n1 T29631
Cl.COc1ccc(C(=O)C(C)CN2CCCC2)c(C)c1C T29632
COc1ccc(CC(=O)NC(=C)C(O)=O)cc1 T29633
CC(C)C1Oc2c(cccc2N(CC(O)=O)C1=S)C(C)C T29634
O=C(C1=NNC2=C1C=CC=C2)N[C@H]3CN(CC4=CC=CC(C)=C4)CCN(C)C3.[H]Cl.[H]Cl T29635
CC(C(O)=O)c1ccc(Nc2ccccn2)cc1 T29636
Cc1oc(nc1C(O)COc1ccc(CC2SC(=O)NC2=O)cc1)-c1ccccc1 T29637
Clc1ccc(OCC(=O)OCCNC23CC4CC(CC(C4)C2)C3)cc1 T29638
C1C2CC3CC1CC(C2)C31N=N1 T29639
OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T2964
[O-][N+](=O)NC12CC3CC(CC(C3)C1)C2 T29640
O=NC12CC3CC(C1)CC(C3)(C2)N=O T29641
ClC1(N=O)C2CC3CC(C2)CC1C3 T29642
Nc1ccn([C@@H]2O[C@H](COC(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](O)[C@@H]2O)c(=O)n1 T29643
CN(Cc1cc(Br)cc(Br)c1NC(C)=O)C12CC3CC(CC(C3)C1)C2 T29644
Cl.O=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 T29645
O=C(Nc1ccccc1N1CCCC1)c1ccc2ccccc2n1 T29647
CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCC(O)C1 T29648
OC(=O)C1CCC2(C1)CCCCCC2 T29649
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C T2965
CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(O)=O T29650
C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T29651
Nc1ncnc2n(cnc12)C1CCCC1 T29652
CC(N(C)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1 T29653
C[Se+](CCC(N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T29654
CCC(C)C(=O)C1=C(O)C(CC=C(C)C)C(=O)C(O)(CC=C(C)C)C1=O T29656
[H][C@@]12Oc3nc(=O)c(C)cn3[C@]1([H])O[C@H](CO)[C@H]2I T29657
[Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 T29659
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C T2966
O=C(OC1CCCCC1)CCCCC(OC2CCCCC2)=O T29660
CCCCCC(Nc1ccccc1)Nc1ccccc1 T29661
CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12 T29662
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(O)c1 T29663
CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O T29664
Clc1cc2c3N(CCOc3c1)C(=O)C21CC(=O)NC1=O T29665
CN(C)CCO.CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O T29666
CC(=O)Nc1cccc2c1c(=O)c1ccccc1n(C)c2=O T29667
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T2967
C[C@@H](CN(CC(N)=O)CC(O)=O)N(CC(N)=O)CC(O)=O T29670
ONC(=O)C[S+]([O-])C(c1ccccc1)c2ccccc2 T29671
ONC(=O)C[S+]([O-])C(c1ccccc1)c2ccccc2 T29672
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@@H](O)c4c(O)c3C(=O)c12)C(=O)CO T29673
Cl.[H][C@@]12CCc3cc(OC(C)=O)c(OC(C)=O)cc3[C@@]1([H])c1cc(CCC)sc1CN2 T29674
C\C(N)=C\C(=O)OCCSCCOC(=O)\C=C(\C)N T29675
[H][C@]12CCC34O[C@@]33CC[C@H](C5=CC(=O)OC5)[C@@]3(C)CC[C@]4([H])[C@@]1(C)CC[C@H](O)C2 T29676
OCc1csc(n1)-c1ccccc1O T29679
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2C[C@@H]([C@H]2[C@@]1(CC[C@H](C2)O)C)O)C T2968
C[n+]1c2cc(N)ccc2nc2c(cc(cc12)S([O-])(=O)=O)C(O)=O T29680
Cl.C[C@H]1O[C@@]2(CS1)CN1CCC2CC1 T29681
O=C1CC2C3CCN(CC3)C2CC1c1ccccc1 T29682
CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)O[C@H]1OC(=O)c2ccccc12)c1ccccc41 T29683
COc1cc(cc(OC)c1OC)C(=O)OC(C)CCN1CCOCC1 T29684
Nc1nc(CN2CCN(CC2)c2ccccc2)nc(n1)N1CCOCC1 T29685
Nc1nc(CCl)nc(n1)N1CCN(CC1)c1ccccc1 T29686
[Na+].CC(=O)NC(Cc1ccccc1)C([O-])=O T29688
[H][C@]12O[C@H]([C@H](O)[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12)n1cnc2c1nc(N)[nH]c2=O T29689
C[C@H](CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C T2968L
OC1=CC(=O)c2ccccc2C1=O T2969
COc1cc2OC3OC4OC4C3c2c2oc(=O)c3C(=O)OCCc3c12 T29690
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc12 T29691
Cl.CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc12 T29691L
Cl.COCCOCCOCCOC(=O)C(=C\c1ccc2cc(ccc2c1)N1CCCCC1)\C#N T29693
COCCOCCOCCOC(=O)C(=C\c1ccc2cc(ccc2c1)N1CCCCC1)\C#N T29693L
CC(C)(C)NC[C@@H](O)COc1cccc2COC(=O)c12 T29694
Oc1ccc(C=C(C#N)C#N)cc1[N+]([O-])=O T29696
F[B-](F)(F)F.Cc1c(OCC(F)(F)F)cc[n+]2-c3nc4ccccc4n3SCc12 T29698
Cl.[Cl-].NC(=[NH2+])SCc1csc(N)n1 T29699
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C T2970
CCN(Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccc2nc(N)nc(N)c2c1 T29700
Cc1nc(=O)c2cc(CN(CC#C)c3ccc(cc3)S(=O)(=O)n3ccc4ccccc34)ccc2[nH]1 T29701
[O-][N+](=O)c1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1 T29703
Cc1c(OCC(F)(F)F)cc[n+]2-c3nc4ccccc4n3SCc12 T29705
CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(sc34)-c3nccn3C)ccc12 T29706
CCCCC[C@H](O)c1ccc(cc1)N1[C@@H](CCCc2ccc(s2)C(=O)OCCO)CCC1=O T29707
CCCCC[C@H](O)c1ccc(cc1)N1[C@@H](CCCc2ccc(s2)C(=O)OC(C)C)CCC1=O T29708
NC(=O)CC[C@H](Nc1ccc(O)c(O)c1)C(O)=O T29709
NNC(=O)c1cc(CO)ccc1OC(=O)CC[C@H](N)C(O)=O T29710
COC1=C(C(C)C)C(=O)c2c(O)cc3c(C=CC(=O)C3(C)C)c2C1=O T29711
C\C(CC[C@@H]1C(=C)CC[C@@H]2[C@@]1(C)CCC[C@@]2(C)C(O)=O)=C/C(O)=O T29712
NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12 T29713
C(c1c(cc(cc1)CC(=O)N[C@@H](CC(C)C)c1c(cccc1)N1CCCCC1)OCC)(=O)O T29717
CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)OC1CC=C(C)C)OC(N)=O T29719
O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12 T2972
CC1=C(\C=C\C#Cc2cccc(c2)C(O)=O)C(C)(C)CCC1 T29720
Cc1cc2c(cc1\C=C\c1ccc(s1)C(O)=O)C(C)(C)CCC2(C)C T29721
[H][C@]12C[C@]([H])(OC(=O)O1)[C@H](C\C=C/CCCC(O)=O)[C@H]2CC[C@@H](O)CCCCC T29722
C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C T29723
C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C T29724
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCOC T29725
[H][C@@]12C[C@]([H])(OC(=O)O1)[C@H](\C=C\[C@@H](O)CCCCC)[C@H]2C\C=C/CCCCO T29726
C(C1CCC2CCCCC2=C1)c1c[nH]cn1 T29727
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T29728
Cc1cc(CO)c(O)c(c1)C(=O)CC1CC(=O)NC(=O)C1 T29732
C\N=C(\NCCSCc1ccc(CN(C)C)o1)NC#N T29733
COC(=O)CCC\C=C/C[C@@H]1[C@@H](CC(=O)[C@H]1N1CCOCC1)OCc1ccccc1 T29734
Cn1nc(Oc2ccc(cc2)[N+]([O-])=O)c(Cl)c1C(F)(F)F T29735
CC(C)(C)NCC(O)c1ccc(O)c(c1)C(N)=O T29736
OC1c2ccccc2Oc2ncccc12 T29737
COc1ccc2oc3ccc(cc3c(=O)c2c1)-c1nnn[nH]1 T29738
[H][C@]1([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](NC)C4(C)C T2974
COc1cccc(\C=C\CN2CCC(CC2)=C2c3ccccc3C=Cc3ccccc23)c1[N+]([O-])=O T29740
CNC(=O)Cc1ccc2[nH]cc(CCN)c2c1 T29741
Cc1cc2CCC(CCN3CCCC3)=Cc2cc1C T29742
OC(=O)\C=C\C(O)=O.Cc1cc2CCC(CCN3CCCC3)=Cc2cc1C T29742L
CC(C)(Oc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(F)cc1)C(O)=O T29744
CCC(C)N(CCN=C=S)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl T29745
Cl.CN1CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1 T29746
O=C1NCC(CCN2CCOCC2)C1(c1ccccc1)c1ccccc1 T29747
Cl.NS(=O)(=O)OCCOc1ccc(cc1)-n1ccnc1 T29749
COc1cccc(C=O)c1OC T2975
Cl.COc1ccccc1O[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1 T29750
COc1ccccc1OC1CCN(CCCC(=O)c2ccc(F)cc2)C1 T29750L
Cl.COc1cc(ccc1OCCCN1CCC(CC1)C(=O)c1ccc(F)cc1)C(C)=O T29751
CNC(=O)N1CCC(C1)Oc1cccc(Cl)c1 T29752
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C1)C1CCCCC1 T29754
OC(=O)\C=C\C(O)=O.COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C1)C1CCCCC1 T29754L
CCN1CC(CCN)C(C1=O)(c1ccccc1)c1ccccc1 T29755
O=C(C=CC=Cc(cc1)cc2c1OCO2)N1CCCCC1 T29756
CCOP(=O)(OCC)Sc1ccc(Cl)cc1 T29757
FC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1 T29758
C1Oc2ccc(cc2O1)C1OCC2C1COC2c1ccc2OCOc2c1 T29759
OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO T2976
CCOP(=S)(NC)Oc1ccc(SC)c(C)c1 T29760
CCOP(=S)(CC)Sc1ccc(C)cc1 T29761
CCP(=S)(OC(C)C)Oc1ccc(cc1Cl)[N+]([O-])=O T29762
Cc1cc(ccc1\N=N\c1ccccc1C(O)=O)N(CCCl)CCCl T29763
CNC(=O)[C@H](C)SCCSP(=S)(OC)OC T29764
COP(=S)(OC)SCC1(C)OCCS1 T29765
COP(=S)(OC)SCC1(C)SCCS1 T29766
CNC(=O)C(C)(C)SCCSP(=S)(OC)OC T29767
COP(=S)(OC)O\C(=C\Cl)c1ccc(Cl)cc1Cl T29768
CCOCCOCCOC(C)Oc1ccc(SC)cc1 T29769
COc1cc(C=O)ccc1OC(C)=O T2977
O=C(C1CCC=CC1)N1CCCCC1 T29770
CCOC(C)(C)CCCC(C)CCCc1ccc(cc1)C(C)C T29771
F[B-](F)(F)F.CCN(CC)c1ccc([N+]#N)c(C)c1 T29772
NP1(N)=NP(N)(N)=NP(N)(N)=NP(N)(N)=N1 T29773
c1(c2c(nc3c1cccc3)cccc2)[NH+]CCC[NH+](C)C.[ClH-].[ClH-] T29774
c1c2C[C@H](OC(c2c(cc1)O)=O)[C@@H](NC([C@H]([C@H]([C@H](CC(=O)O)N)O)O)=O)CC(C)C T29775
CC(=O)OC[C]1(C)(C)CCC(C)(CC1)OC(C)=O T29776
CCOC(=O)C(=O)C(C#N)c1ccccc1 T29778
[NH4+].[O-]C(=O)COc1ccc(Cl)cc1Cl T29779
CC(=O)Nc1ccccc1-c1ccccc1 T29780
CCC(=O)OC1CCCCC1 T29781
Cc1cccc(O)c1-c1nc2c(cccc2o1)-c1nc2c(cccc2o1)C(O)=O T29785
[H][C@]12CCC[C@]3(CO3)[C@]1(COC(C)=O)[C@H](C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1)OC(C)=O T29788
[H][C@]12CCC[C@]3(CO3)[C@]1(COC(C)=O)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 T29789
O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 T2979
[H][C@@]12C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])[C@](C)(C[C@H]2O)OC(C)=O T29791
Cl.CC1=C(CN2CCCCC2)C(=O)c2ccccc2C1=O T29792
[H][C@]12C[C@H](C[C@H](O)n3c1c(CCN2C)c1ccccc31)C(=C/C)\C=O T29794
[H][C@]12C[C@H](C[C@H](O)n3c1c(CCN2C)c1ccccc31)C1=CCOC1=O T29795
CN(C)c1ccc(\C=C\C=C\C2=NC(CS2)C(O)=O)cc1 T29796
OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(F)c1 T29797
COC\C(=N\OCC(=O)OC)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O T29798
[H][C@]12CC[C@@](C)(CC1=CC[C@@]1([H])[C@@](C)(CO)CCC[C@]21C)C=C T29799
CC(=O)NC1C(O)OC(OS(O)(=O)=O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O T2980
[H][C@@]12CC[C@@]3(O)C[C@](C)(CC[C@]3([H])[C@@]1(C)CCC[C@]2(C)CO)C=C T29800
CC[C@@]1(O)C[C@H](O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC T29801
OC(=O)C(F)(F)F.Nc1ncc(nc1Nc1ccc2[nH]ccc2c1)-c1ccncc1 T29802
COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CCN3C)CC1=O T29803
CC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H](\C=C\C=C/C=C/C(O)=O)[C@]1(C)CO1 T29804
COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3C\C(=C/C)[C@H]1C[C@@H]23 T29805
[I-].COC(=O)C1=C2Nc3ccccc3[C@@]22CC[N@@+]3(C)C\C(=C\C)[C@@H]1C[C@@H]23 T29806
CCc1c(C)[nH]c2CC[C@H](CN3CCC4(CC3)OCCO4)C(=O)c12 T29807
Clc1cc(Cl)cc(c1)N1CCN(CCN2CCC3(CC2)OCCO3)C1=O T29808
[H][C@]12O[C@@]1([H])[C@@]1(CC[C@@H](CO1)OC(=O)CC(C)C)O\C2=C\C#CC#CC T29809
COc1cc(O)c(C(C)=O)c(OC)c1 T2981
O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CC\C=C/CCC(O)=O T29810
CC(C#CCN1CCCCCC1)N1C(=O)CCC1=O T29812
CCCCC(F)[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T29813
COc1cc(F)cc2c1-c1ccc(F)cc1[C@@]21NC(=O)NC1=O T29814
CC(C)(COc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1 T29815
COc1cc(F)cc2c1-c1ccc(F)cc1[C@]21NC(=O)NC1=O T29816
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T29817
[Na+].COc1ccc2SCCN(Cc2c1)C(=O)C([O-])=O T29818
[Br-].Cc1sc[n+](CC(=O)c2ccccc2)c1C T29819
O=c1c2ccccc2oc2ccccc12 T2982
CC(N)C=O T29820
CCCCCCCCOc1ccc(N)cc1C[C@H](N)C(O)=O T29821
CC(N[C@@H](C)C(O)=O)C(O)=O T29822
C[C@H](N)C(=O)N[C@@H](CCCN)C(O)=O T29823
C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O T29824
C[C@@H](N)C(=O)OP(O)(O)=O T29826
C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T29828
O=C(O)C=CC1=CC(OC)=C(OC)C(OC)=C1 T2983
CCCC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)C1=O T29831
CC1(C)CCC[C@@]2(C)[C@@H](CO)C(=C)CC[C@@H]12 T29832
Nc1ncnc2n(cnc12)[C@H]1C[C@@H](CO)O1 T29836
C[N+](C)(C)C.ClC1=C(CC\C\1=C/C(C#N)C#N)\C=C(\C#N)c1nc2cc(Cl)ccc2o1 T29837
CC(C)C[C@@H]1NC(=S)N(CC=C)C1=O T29839
COc1cc2ccc(=O)oc2cc1O T2984
OC(=O)Cc1ccc(OCC=C)c(Cl)c1 T29842
[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-].NC(=O)NC1NC(=O)[N-]C1=O T29843
Fc1ccc2-c3ccccc3C3(NC(=O)NC3=O)c2c1 T29844
N[P@@](=O)(OCCCO)N(CCCl)CCCl T29845
[H][C@@]12Cc3cn(C(C)=O)c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 T29848
CNC(=O)O\N=C\C(C)(C)S(C)=O T29849
NC(=O)N[C@@H]1N=C(NC1=O)O[Al](O)O T29850
ClCCNP(=O)(NCCCl)OCCC=O T29851
O=C(NCCOCCOCCOCCN=[N+]=[N-])C1=CC=C(C=C1)C=O T29853
O[C@@H]1[C@@H](O)[C@H]2C[C@@H]1[C@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl T29854
Cc1cccc(c1)-c1ccc2n(Cc3ccc(cc3)C(C)(C)C)cc(C(=O)C(O)=O)c2c1 T29856
NCCC(=O)NCCSSCCNC(=O)CCN T29857
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C T29859
c12c(c(c(cc1)OC)OC)c[n+]1c(c2)c2c(CC1)cc(c(c2)OC)O.[Cl-] T2986
COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C#C[C@@H](O)CCC1CCCCC1 T29860
O.[OH-].[OH-].[OH-].[Al+3] T29862
[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T29863
Cc1ccccc1C(=O)N1CC\C(=N/OS(O)(=O)=O)c2ccc(Cl)cc12 T29864
CN(C)NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O T29865
[2H]C([2H])([2H])\C(=C/COC(C)=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C T29867
Nc1ccc(cc1)S(=O)(=O)[C@@H](CC(=O)c1ccccc1)c1ccccc1 T29868
NC(=O)NC1NC(=O)NC1=O.CSCCC(NC(C)=O)C(O)=O T29869
Oc1cc(cc(O)c1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O T2987
NC(=O)NC1NC(=O)NC1=O.OC[C@H](O)[C@H]1OC(=O)C(O)=C1O T29870
NC(=O)NC1NC(=O)NC1=O.OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 T29871
NC(=O)NC1NC(=O)NC1=O.OC1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O T29872
NC(=O)NC1NC(=O)NC1=O.CC(C)(CO)[C@@H](O)C(=O)NCCCO T29874
[Ca++].NC(=O)NC1NC(=O)NC1=O.CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O T29875
NC(=O)NC1NC(=O)NC1=O.O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O T29876
NC(=O)N[C@@H]1NC(=O)NC1=O T29878
CC1=C(CC=C)C(=O)CC1O T29879
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 T2988
Cl.CCN(CC)CCNC(=O)c1ccc(Cl)cc1OCC=C T29880
CCN(CC)CCNC(=O)c1ccc(Cl)cc1OCC=C T29880L
O[C@@H]1CCC[C@@]2(CCCC(CCCC#C)N2)[C@H]1\C=C/C#C T29881
OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O T29882
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O T29883
[H][C@]1(O)CC[C@]2([H])CN3CCc4c([nH]c5ccccc45)[C@]3([H])C[C@]2([H])[C@@]1([H])C(=O)OC T29884
O.[OH-].[O--].[Mg++].[Al+3].[O-]S([O-])(=O)=O T29885
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](C)[C@@]21[H] T29886
OCc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1 T29887
c1(cc(cc2C(c3cccc(c3C(c12)=O)O)=O)CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O T29888
Cl.CC(CC#N)N(C)CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1F T29889
CC(CC#N)N(C)CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1F T29889L
OC(=O)c1ccc(O)cc1 T2989
Brc1cccc2ccccc12 T29891
CC[C@@H](O)[C@@H]1CCCCN1 T29893
OC[C@H]1O[C@H](O)[C@@H](O)[C@H]1O T29894
CCCC(NCC)C(=O)c1ccccc1 T29895
OC(=O)CC[C@H](NCc1c[nH]c(=O)[nH]c1=O)C(O)=O T29896
O[C@H]1CO[C@@H](O)[C@H](O)[C@@H]1O T29897
C\C(C=O)=C\c1ccccc1 T29898
OS(O)(=O)=O.CN1CC(=O)N=C1N.CC(N)Cc1c[nH]c2ccc(O)cc12 T29899
Cl.NCC(CC(O)=O)c1ccccc1 T2990
[H][C@@]12O[C@@H](O)c3c(OC)c(OC)ccc3[C@@]1([H])N(C)CCc1cc(OC)c(OC)cc21 T29903
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)NC[C@@H](O)COc1ccccc1CC=C T29905
CC(C)(CNC[C@H](O)COc1ccccc1CC=C)Nc1ccc([N+]([O-])=O)c2nonc12 T29906
[Na+].CCCCCC(O)\C=C\C1C(O)CC(=O)C1CCCCCCC([O-])=O T29907
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OCC T29908
[Na+].CCCCCCCCCCCC1(C)OCC(COCCCS([O-])(=O)=O)O1 T29909
C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 T2991
ClCC1CO1.NCCNCCNCCNCCN T29910
COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 T29911
COC(=O)C1=CO[C@@H](C)[C@H](COC(C)=O)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 T29911L
O.O.O.COC(=O)C1=CO[C@@H](C)[C@H](COC(C)=O)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 T29912
Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 T29913
CN1CCC[C@H]1c1cncc(c1)C#C T29916
NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl T29917
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O T29919
Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 T2992
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C\C=C\I T29920
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)N2C\C=C\[123I] T29921
CCCCCCCCS(=O)(=O)C=C T29923
C[S+]([O-])CCCCCN=C=S T29924
C[S+]([O-])CCCCCN=C=S T29925
CC(C)[C@@H]1OC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](CCCc2ccccc2)NC1=O T29926
CC(C)[C@@H]1OC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)[C@H](CCCc2ccc(O)cc2)NC1=O T29927
CN1CCCC[C@@H]1Cn2cc(C(=O)c3cccc4ccccc34)c5ccccc25 T29929
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O T2993
CN1CCCC[C@@H]1Cn2cc(C(=O)c3cccc4ccccc34)c5ccccc25 T29930
[Na+].CCN(Cc1cc(ccc1-c1cc(CC([O-])=O)ccc1OC)C(F)(F)F)C(=O)C1CC1 T29932
CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc21 T29933
[Na+].CCN(Cc1cc(ccc1-c1cncc(CC([O-])=O)c1)C(F)(F)F)C(=O)OCc1ccccc1 T29934
CN(Cc1ccc(Cl)cc1)c1ccc2nc(N)nc(N)c2c1 T29935
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](C)CO T29938
CC(C)(C)c1cc(CN2CCN(CC(O)c3ccc(Cl)cc3)CC2)cc(c1O)C(C)(C)C T29939
COc1cc(O)cc(O)c1C(=O)\C=C\c1ccccc1 T2994
Unknown T29941
[BrH-].CCCCNc1ccc(cc1)C(=O)OCC[N@H+](C)CCSC T29943
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C(Cl)=C[C@@]21[H] T29944
Cl.[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](N)[C@@H](O)C[C@]12C T29945
Nc1ncnc(Nc2ccccc2)n1 T29946
[H][C@@]12O[C@]1([H])[C@@]1([H])[C@H](C)C[C@]3([H])OC(=O)C(=C)[C@@]3([H])C[C@]1(C)[C@H]2O T29947
[H][C@]12C[C@@]3([H])[C@H](C)C[C@H](O)C(=O)[C@]3(C)[C@@]3([H])[C@H](O)C(=O)[C@H](C)[C@]([H])(CC(=O)O1)[C@]23C T29948
CCCCCn1nc(C(=O)N[C@@H](C(C)C)C(=O)OC)c2ccccc12 T29949
Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 T2995
COCCOCCNCC1COc2ccccc2O1 T29950
[ClH-].COCCOCC[NH2+]C[C@H]1COc2ccccc2O1 T29950L
CCCc1c2oc(cc(=O)c2cc2c1oc(cc2=O)C(O)=O)C(O)=O T29951
CC[C@H]1O[C@H](CC=C1C)C(\C)=C\[C@H](C)\C=C\[C@H]1[C@@H](C)[C@@H]1\C=C\[C@@H]1O[C@H](CC(O)=O)C[C@H](O)[C@H]1O T29954
OCCO.OC(=O)CCCCC(O)=O.O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1 T29956
C(NCc1ccccn1)c1ccc(CN2CCNCCCCCCCNCC2)cc1 T29957
O=C(Nc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1 T29958
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2\N=C\N1CCCCCC1)C(=O)OCC(C)=O T29959
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2\N=C\N1CCCCCC1)C(=O)OCOC(=O)C(C)(C)C T29960
Cl.CNCCC[C@]1(C)C(=O)N(c2ccccc12)c1ccccc1 T29961
CNCCC[C@]1(C)C(=O)N(c2ccccc12)c1ccccc1 T29961L
[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T29962
OC\C=C\c1ccc2O[C@@H]([C@@H](CO)Oc2c1)c1ccc(O)c(O)c1 T29963
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O T29965
CN(C)CCn1c2cccccc2nc1=O T29966
OC1CCc2cccc(NC(=O)\C=C\c3ccc(nc3N3CCCCC3)C(F)(F)F)c2C1 T29968
OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 T2997
OC(=O)C1CN(Cc2ccc(-c3nc4cc(cnc4s3)C3(CC3)c3ccccc3)c(F)c2)C1 T29971
CC([18F])C(=O)N1CCC(CC1)c1nccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1 T29972
CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1 T29973
CC(C)[C@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1 T29975
O[C@@H]1Cc2cccc(NC(=O)\C=C\c3ccc(cc3N3CCCCC3)C(F)(F)F)c2C1 T29976
O=C(OCc1ccccc1)C1(CCN2CCCCCC2)CCCCC1=O T29978
Cl.COCC(=O)Nc1ccc(cc1)\N=C(/C)N(C)C T29979
COCC(=O)Nc1ccc(cc1)\N=C(/C)N(C)C T29979L
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1 T2998
CNCC(O)c1cccc(NS(C)(=O)=O)c1 T29980L
Cl.CNCC(O)c1cccc(NS(C)(=O)=O)c1 T29980L2
CCc1cccc(CC)c1N(CNC(C)=O)C(=O)CCl T29981
Nc1ccc2nc(sc2c1)C1=N[C@H](CS1)C(O)=O T29984
CCn1c(=O)cc(N)n(CC=C)c1=O T29985
Cl.COc1ccc(cc1)C(CN(C)C)=C(c1ccc(OC)cc1)c1ccc(OC)cc1 T29986
CC(C)C[C@H](NC(=O)[C@@H](N)c1ccccc1)C(O)=O T29987
NCCCSC[C@H](N)C(O)=O T29988
CCN(CC)CCCC(C)Nc1cc(\C=C\c2ccccc2Cl)nc2cc(Cl)ccc12 T29989
OC[C@H]1O[C@@H](Oc2ccc(CO)cc2)[C@H](O)[C@@H](O)[C@@H]1O T2999
COc1ccc(cc1)C(CN(C)C)=C(c1ccc(OC)cc1)c1ccc(OC)cc1 T29993
COP(=S)(OC)SCCNC(C)=O T29994
CC(=C)Cn1c(N)cc(=O)n(C)c1=O T29995
OC(=O)C(O)=O.CCOP(=O)(OCC)SCCN(CC)CC T29996
COC(=O)C1=C(C)NC(COCCN)=C(C1c1ccccc1Cl)C(=O)OC T29998
COc1ccc(C(O)=O)c(O)c1 T2A2428
O[C@H]1CN[C@@H](C1)C(O)=O T2A2476
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O T2A2481
COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1 T2A2486
N[C@@H](CCC(O)=O)C(O)=O T2A2497
CCOC(=O)CC[C@H](N)C(=O)OCC T2A2497L
NCCCC[C@H](N)C(O)=O T2A2498
OP(O)([O-])=O.NCCCC[C@H]([NH3+])C(O)=O T2A2498L
CC(O)=O.NCCCC[C@H](N)C(O)=O T2A2498L2
N[C@@H](CCCCN)C(O)=O.[H]O[H] T2A2498L3
CCCCCCCCCCCCN1CCCCCC1=O T2A2509
COc1ccc(C=O)c(O)c1 T2A2524
N[C@@H](Cc1c[nH]cn1)C(O)=O T2A2532
Nc1nc(=O)c2[nH]cnc2[nH]1 T2A2537
CCCCCCCCCCCCCCCCCC(=O)OC T2O2666
CCCCCCCC\C=C/CCCCCCCC(=O)OC T2O2667
CCCCCCCC\C=C/CCCCCCCC(O)=O T2O2668
OC(=O)C(O)=O T2O2680
OC(=O)[C@@H]1CCCN1 T2O2683
Cl.NCCC[C@H](N)C(O)=O T2O2701
CC1OC(O)C(O)[C@H](O)[C@H]1O T2O2707
N[C@@H](CS)C(O)=O T2O2721
NCC(O)=O T2O2728
N[C@@H](CO)C(O)=O T2O2730
N[C@@H](CC(O)=O)C(O)=O T2O2731
N[C@@H](CSSC[C@@H](N)C(O)=O)C(O)=O T2O2733
[Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N T2O2741
O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 T2O2744
O[C@@H]1[C@H](O)[C@@H](O)c2c(oc(CCc3ccccc3)cc2=O)[C@H]1O T2O2770
N[C@@H](CC(N)=O)C(O)=O T2O2774
CC(C)[C@H](N)C(O)=O T2O2776
C[C@@H](O)[C@H](N)C(O)=O T2O2777
OC(=O)Cc1c[nH]c2ccccc12 T2O2791
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O T2O2798
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC T2P2810
CC=CC(=O)C1=C(C)C=CCC1(C)C T2P2870
C[C@H](O)[C@H](C)[C@H](N)C(O)=O T2P2919
CCCCCCCCCCCCCCCCCC(O)=O T2P2923
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC T2P2937
COc1cc(C)c2c(c1)occ(-c1ccccc1)c2=O T2P2963
[Na+].COc1cc(\C=C\C([O-])=O)ccc1O T2S0007
COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 T2S0029
CCOc1cc2c3ccc(OC)c(OC)c3c[n+](C)c2c2cc3OCOc3cc12 T2S0058
OC[C@H]1O[C@@H](O[C@@H]2C[C@H](O)C=C\C2=C/C#N)[C@H](O)[C@@H](O)[C@@H]1O T2S0120
O[C@@H](C(O)=O)c1ccccc1 T2S0122
CC(C)(C=C1)Oc(cc2)c1c(O)c2C(/C=C/c(cc1)ccc1O)=O T2S0142
CCCCCCCCCCCCCCCC(=O)OC T2S0157
CCCCCCCCCCCCCCCC(=O)OCC T2S0164
COc1ccc(cc1OC)-c1cc(=O)c2c(OC)cc(OC)c(OC)c2o1 T2S0223
O=C1CCc2ccccc2O1 T2S0300
CC(=O)c1cc2c(CO)cc(O)cc2oc1=O T2S0342
Oc1ccc2oc(=O)ccc2c1 T2S0357
Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 T2S0389
O=C[C@H]([C@@H]([C@@H](CO)O)O)O T2S0461
COc1cc(CC=C)ccc1OC(C)=O T2S0490
COc1cc(\C=C\C)ccc1OC(C)=O T2S0491
COc1cc(C=CC)ccc1O T2S0493
COc1ccc(cc1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(OC)c(OC)c1 T2S0531
CCOC(C)OCCc1ccccc1 T2S0604
[H][C@@]12CC(C)(C)CC[C@]11CC[C@]3(C)[C@]2(OC1=O)[C@H]1O[C@H]1[C@]1([H])[C@@]2(C)CCC(=O)C(C)(C)[C@]2([H])CC[C@@]31C T2S0605
C[C@H]1CCC[C@@H]2C[C@@]3(C[C@]12C)C(=C)COC3=O T2S0606
CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O T2S0618
CC(=O)CCc1ccc(O)cc1 T2S0633
CCC1=N[C@H]2C[C@]3([C@H]4C[C@@H]1[C@@H]2CO4)C(=O)N(OC)c1ccccc31 T2S0663
[K+].OCC1OC(S\C(CC=C)=N\OS([O-])(=O)=O)C(O)C(O)C1O T2S0712
OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O T2S0731
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O T2S0765
O=C1NCCc2cc3OCOc3cc12 T2S0799
COc1c(oc2c3ccoc3ccc2c1=O)-c1ccccc1 T2S0820
[O-][N+](=O)c1ccc(cc1)-c1csc(CCl)n1 T2S0837
COC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T2S0842
COc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 T2S0843
OC(CC(O)=O)C(O)=O T2S0850
O=C(\C=C\c1ccccc1)c1ccccc1 T2S0961
COc1ccccc1\C=C\C(O)=O T2S0973
[O-][N+]12CCC[C@@H]3CN4[C@H](CCCC4=O)[C@@H](CCC1)[C@@H]23 T2S1008
CC1=C2[C@H]3O[C@]33CC[C@@H]4C(C)(C)CCC[C@@]4(C)C3[C@H]3O[C@@]23OC1=O T2S1040
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 T2S1086
CC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O T2S1115
COc1cc(oc(=O)c1)-c1c(C)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T2S1181
COc1cc(\C=C\C(=O)OCC[N+](C)(C)C)cc(OC)c1O T2S1200
COc1ccc2ccc(=O)oc2c1O T2S1334
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O T2S1396
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC T2S1397
Oc1c2ccoc2cc2oc(=O)ccc12 T2S1434
CCOC(=O)\C=C\c1ccc(OC)cc1 T2S1625
O[C@H](CC(=O)CCc1ccccc1)\C=C\c1ccccc1 T2S1702
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23 T2S1720
COc1cc2[C@@H](O)O[C@@H]3CC=C4CCN(C)[C@H]4[C@@H]3c2cc1OC T2S1727
C=CC1CNC(=S)O1 T2S1778
Oc1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23 T2S1792
C\C(CO)=C/CCC1(C)C2CCC(C2)C1=C.C\C(CO)=C/CCC1(C)C2CC3C(C2)C13C T2S1797
Oc1ccc(C=O)cc1 T2S1814
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O T2S1837
CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 T2S1865
COc(cc(/C=C/CO)cc1)c1O[C@@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O T2S1905
COc1cc(C=CC=O)ccc1O T2S1907
CC(=C)C1CCC(\C=N\O)=CC1 T2S1992
O.O.OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T2S2003
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@H](O)C(=C)[C@H](O)C[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C T2S2018
[O-][Cl](=O)(=O)=O.COc1c(C)c(O)cc2[o+]c(ccc12)-c1ccccc1 T2S2043
O.[K+].OC[C@H]1O[C@@H](S\C(CC=C)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O T2S2104
COc1ccc2[nH]c(=O)oc2c1 T2S2108
COc1ccc2c(OC)c3ccoc3nc2c1OC T2S2109
CC(C)(O)CCc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O T2S2150
COc1ccc(cc1)[C@@H]1CC(=O)c2c(OC)cc(OC)cc2O1 T2S2169
CC(C)=CCCC(C)=CCCC(C)(O)C=C T2S2172
Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1 T2S2173
COc1ccc-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1OC T2S2215
CC(C)=CCCC(C)(O)C=C T2S2264
C[C@@H]1[C@@]2(CC[C@@H](C)CO2)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]12O T2S2321
C[n+]1c2-c3[nH]c4ccccc4c3CCn2c(=O)c2ccccc12 T2S2335
[O-][N+]([O-])=O.COc1ccc2c(C)c3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC T2S2362
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC T2S2363
COc1cc(OC)cc(\C=C\c2ccc(O)c(O)c2)c1 T2S2382
Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O T3000
Br.CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC T30000
COc1c2ccoc2cc2oc(=O)ccc12.COc1c2ccoc2c(OC)c2oc(=O)ccc12 T30002
[NH4+].CC(C)(CS([O-])(=O)=O)NC(=O)C=C T30003
[NH4+].CCCCCCCCCCCC([O-])=O T30004
[NH4+].OC(C([O-])=O)c1ccccc1 T30005
Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O T3001
[I-].[I-].C[N+](C)(C)CCCc1ccc(cc1)[N+](C)(C)C T30011
COS([O-])(=O)=O.CNC(=O)COc1cccc(c1)[N+](C)(C)C T30016
[I-].[I-].C[N+](C)(C)CCc1ccc(cc1)[N+](C)(C)C T30017
[I-].[I-].C[N+](C)(C)Cc1ccc(cc1)[N+](C)(C)C T30018
CCC(N1c2ccccc2[SH+]c2ccccc12)C(C)([I-])CC T30019
C1CCN(CC1)C(=O)/C=C/C=C/c1cc2c(cc1)OCO2 T3002
[I-].[I-].C[N+](C)(C)c1ccc(cc1)[N+](C)(C)C T30020
[ClH-].CC(C)c1cc(c(C)cc1OC(=O)N1CCCCC1)[N+](C)(C)C T30021
CCN(CC)CCC1(C(=O)Oc2ccccc12)c1ccccc1 T30023
Cl.CCN(CC)CCC1(C(=O)Oc2ccccc12)c1ccccc1 T30023L
COc1cc(cc(OC)c1OC)C(=O)OC(COCCC(C)C)CN1CCOCC1 T30024
Cl.COc1cc(cc(OC)c1OC)C(=O)O[C@H](COCCC(C)C)CN1CCOCC1 T30024L
COC1C(O)C(O)C(OCC2OC(O)C(O)C(O)C2O)OC1C(O)=O T30025
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)CO T30026
COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O T30027
COc1ccccc1OCCNC[C@H](O)c1ccc(C)c(c1)S(N)(=O)=O T30028
COc1ccccc1OCCNC[C@@H](O)c1ccc(C)c(c1)S(N)(=O)=O T30029
NC(Cc1c[nH]c2ccc(O)cc12)C(O)=O T3003
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1COCCN T30030
CCN(CC)CCN(CC)CCOC(=O)c1ccc(N)cc1 T30031
C[N+](C)([O-])CCOC(c1ccccc1)c1ccccc1 T30033
O=C(Nc1ccccc1)N1CC1C#N T30034
Nc1cccc(c1)-n1ccccc1=O T30036
Cn1cc2C(=O)c3nccc4c5ccccc5nc(-c2cc1=O)c34 T30039
CCCCCCCCCCCCCCCCCCOCC(O)CO T3004
CC1(C)SC(NC1C(O)=O)C(NC(=O)C(N)c1ccccc1)C(O)=O T30042
Nc1nc(N)c2c(nc(N)nc2n1)-c1ccccc1 T30043
Cl.CCC(CN(C)C)(CN(C)C)OC(=O)c1ccccc1 T30044
CCC(CN(C)C)(CN(C)C)OC(=O)c1ccccc1 T30044L
CCCCCOC(=O)c1ccccc1O T30045
CN1CCCCC1c1ccc(nc1)-c1cccnc1 T30046
O=C1O[C@@]2(CC[C@@]22OC(=O)C=C2)C=C1 T30048
CCCCCCCCOc1ccc(N)cc1Cl T30049
Oc1ccc(\C=C\C(=O)c2ccccc2)cc1 T3005
COCOc1ccc(N)cc1OC T30050
[Cl-].[Cl-].[NH3+]c1ccc(OCCOc2ccc([NH3+])cc2)cc1 T30051
Cl.Cl.Nc1ccc(OCCCCCCCOc2ccc(N)cc2)cc1 T30052
Cl.Cl.Nc1ccc(OCCCCCCOc2ccc(N)cc2)cc1 T30053
Cl.Cl.Nc1ccc(OCOc2ccc(N)cc2)cc1 T30054
Cl.Cl.Nc1ccc(OCCCCCCCCCOc2ccc(N)cc2)cc1 T30055
Cl.Cl.CNc1ccc(OCCCCCCCCOc2ccc(NC)cc2)cc1 T30056
Cl.Cl.CNc1ccc(OCCCCCOc2ccc(NC)cc2)cc1 T30057
Cl.Cl.Nc1ccc(OCCCCCOc2ccc(N)cc2)cc1 T30058
Cl.Cl.Nc1ccc(OCCCCOc2ccc(N)cc2)cc1 T30059
OC(=O)\C=C\C=C\c1ccccc1 T3006
CN(C)c1ccc(OCCCOc2ccc(cc2)N(C)C)cc1 T30060
Cl.Cl.CNc1ccc(OCCCOc2ccc(NC)cc2)cc1 T30061
Cl.Cl.Nc1ccc(OCCCCCOc2ccc(N)cc2Cl)c(Cl)c1 T30062
CCN(CC)CCOCCc1cccc(N)c1 T30063
FC(F)CNc1cccc(Cl)c1 T30064
CN(N=O)c1cccc(Cl)c1 T30065
CN(N=O)c1cccc(F)c1 T30066
Cl.CCNc1ccc(OCCCCCc2ccccc2)cc1 T30067
CNc1ccc(OCCCCCCCCOc2ccccc2)cc1 T30068
Nc1ccc(OCCCc2ccccc2)cc1 T30069
NCCCNCCCCNCCCN T3007
Nc1ccc(OCCCCCOc2ccc3ccccc3c2)cc1 T30070
CCOc1ccc(OCCCCCOc2ccc(N)cc2)cc1 T30071
COc1ccc(OCCCCCOc2ccc(N)cc2)cc1 T30072
Nc1ccc(OCCCCCOc2ccc(Oc3ccccc3)cc2)cc1 T30073
Cl.Cc1ccc(OCCCCCOc2ccc(N)cc2)cc1 T30074
Nc1ccc(OCCCCCOc2ccccc2)cc1 T30075
CS(O)(=O)=O.Nc1ccc(OCCCCCc2ccccc2)cc1 T30076
C[C@@H](N)CCNCCCCNC(=O)OCC(=O)NCCCCCCNC(N)=N T30077
COC1=CC(=O)c2ccccc2C1=O T3008
CC(=O)\N=c1\sccn1CC(O)c1cccs1 T30081
Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O T30086
COC1=C(OC)C(=O)[C@H](C)[C@@H](C\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H]1O T30087
OC(=O)CC[N+]([O-])=O T3009
COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC T30090
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F T30092
OC(=O)C=CC(O)=O.O=C1Cc2c(N1)ccc1OCC(CNCc3ccccc3)Oc21 T30098
CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COC(=O)C3=CC[C@@H]12 T30099
OC(=O)c1cc(O)c2cccc(O)c2n1 T3010
COc1nsc(N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(O)=O)n1 T30100
CC(=O)O[C@H]1C=COC=C2C[C@]34SS[C@]5(CC6=CC=C[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@H]12 T30101
Brc1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1cccnc1 T30102
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(CC2CCCCC2)c2ccccc12 T30103
OC(=O)\C=C/C(O)=O.CN1CCN2C(C1)c1cccn1Cc1ccccc21 T30108
CC(N1CCCC1)C(=O)Nc1ccccc1C T30109
Cl.CC(N1CCCC1)C(=O)Nc1ccccc1C T30109L
NC(CC(=O)c1ccccc1N)C(O)=O T3011
CCCCCCN(CCO)c1cc(nc2ncnn12)N(CC)CC T30110
CCCCCCN(CCO)c1cc(nc2ncnn12)N1CCCCC1 T30111
CN(C)CCN1C(=O)[C@H](Oc2ccc(C)cc12)c1ccccc1 T30112
CCCCCN(CCO)c1cc(nc2ncnn12)N1CCCCC1 T30114
Fc1cccc(F)c1C(=O)N1CC2(CCN(CCC=C)CC2)c2cc(Cl)ccc12 T30116
Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O T30117
CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)c1ccc(Cl)cc1)OC(=O)C(C)C T30118
Cl.O[C@@H](CNCCCCc1ccc(O)cc1)c1ccc(O)c(O)c1 T30119
O.OS(O)(=O)=O.N[C@@H](CC(=O)c1ccccc1N)C(O)=O T3011L
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O T3012
OC(=O)CN(CC(O)=O)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 T30122
CCOC(=O)N1CCC(=O)N(c2ccccc2)c2cc(Cl)ccc12 T30124
OS(=O)(=O)CCS.N[C@@H](CCCNC(N)=N)C(O)=O T30125
CCCCCCCCCC(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O T30126
N[C@@H](CCCN\N=C\N[C@@H](CC(O)=O)C(O)=O)C(O)=O T30127
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T30128
N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O T30129
OC(C(O)C(O)=O)C(O)=O.CCC1=C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC T3013
[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)CC[C@]1([H])[C@](C)(CCC[C@@]21C)C(O)=O T30130
[H][C@@]12CC(=O)O[C@]1([H])C1=C([C@@H](C)O2)C(=O)c2c(OC)c(O)ccc2C1=O T30132
COc1ccc(-c2nc3ncccc3[nH]2)c(OCCS(C)=O)c1 T30133
Cl.COc1ccc(-c2nc3ncccc3[nH]2)c(OC)c1 T30134
N[C@@H](CC(Cl)Cl)C(O)=O T30135
Cl.COc1cc2CCN(C)C(Cc3ccc(O)cc3)c2cc1OC T30136
O=C(N[C@H]1CNC1=O)OCCCCCCCCCC#C T30137
Cc1cccc(Nc2cc(Cl)nc(NCC(O)=O)n2)c1C T30138
CCSc1ccc(\C=C(/C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1 T30139
C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O T3014
Cl.CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O T30140
CCN(CC)CCCNC(=O)C(c1ccccc1)c1ccccc1 T30141
Cl.CCN(CC)CCCOC(=O)C(c1ccccc1)c1ccccc1 T30141L
Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(ns1)[C@H](O)CO T30142
O[As](O)(=O)c1ccc(cc1)N=C=S T30143
CCOC(C(=O)OC(C)CN(C)C)(c1ccccc1)c1ccccc1 T30145
COc1ccc(CCNCCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC T30146
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 T3015
CC1=C2CCc3cc(C)ccc3N2CCC1=O T30150
O=C1c2cccnc2-c2nccc3c4ccccc4nc1c23 T30152
CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O T30153
CCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O T30154
OC[C@H](O)[C@H]1OC(=O)C(O)=C1OC(=O)c1cccnc1 T30155
[H][C@]12O[C@@]1([H])C(C)(C)[C@@]1(O)[C@H](O)C[C@]34C[C@@](C)(O)[C@H](CC[C@@]3([H])[C@@](C)(O)[C@]21[H])[C@H]4OC(=O)C(C)O T30156
[H][C@@]12C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)[C@@H](O)[C@]13C[C@@](C)(O)[C@H](CC[C@@]1([H])[C@@]2(C)O)[C@H]3O T30157
Cl.N[C@@H]1C[C@H]1c1ccc(O)c(O)c1 T30159
[I-].C[n+]1ccc(\C=C\c2ccc(OC(=O)C=C)cc2)cc1 T30160
Unknown T30161
CCOCCOC(=O)C(=O)Nc1nc(cs1)-c1cc(C)no1 T30164
C[C@H](Oc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(O)=O T30165
Cl.O[C@@H]1C[C@@H]2C[C@H]1N[C@@H]2C(=O)N1CCC[C@H]1C#N T30166
CC(C)n1cc(ccc1=O)-c1ncc(N)nc1-c1ccc(F)cc1 T30167
COC1=CC(OC)=C(F)C(COC2=CN=C(NC3=CN(CCO)N=C3)N=C2)=C1F.[H]Cl T30168
OC(=O)\C=C\C(O)=O.CC1(CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@@H](F)C[C@H]1C#N T30169
CC(CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1 T30171
CC1=CC(=O)NS(=O)(=O)O1.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O T30172
N[C@@H](CCCCNC(=O)C[C@H](N)C(O)=O)C(O)=O T30173
COc1ccc2NC(=O)C3CCCN3C(=O)CCNC(=O)C(Cc3ccccc3)NC(=O)c2c1 T30174
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C T30176
Oc1ccc(C=O)cc1O T3018
[Cl-].CN(CCCl)c1ccc(C=CC2=[N+](C)c3ccccc3C2(C)C)cc1 T30180
CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@@H](CC[C@H]2N)[C@H](C)N)[C@H](O)[C@@H]1N(C)C(=O)CN T30181
NNC(=O)CN(CC(=O)NN)CC(=O)NN T30182
C[C@H]1CN(C[C@@H](C)N1)c1cc2n(cc(C(O)=O)c(=O)c2c(N)c1F)C1CC1 T30183
[BrH-].ClCCN(CCCl)c1ccc(cc1)C(=O)C[N+]12CN3CN(CN(C3)C1)C2 T30184
Cl\C(=C(\NC(=O)c1ccccc1)C(=O)N1CCCCC1)c1ccccc1 T30185
CCOC(=O)C(C)(C)Oc1ccc(cc1)-c1noc(n1)-c1cccnc1 T30187
C[C@H]1CC(CN)(CC(O)=O)C[C@@H]1C T30188
CC(C)=CCc1c(O)c2c([nH]c3c(O)cccc3c2=O)c2C=CC(C)(C)Oc12 T30189
COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1 T3019
CCn1c2ccccc2nc(NC)c1=O T30190
O=C([C@H]1N(C([C@@H](C2=CC(OC(F)F)=CC(Cl)=C2)O)=O)CC1)NCC3=CC=C(C(N)=N)C=C3 T30191
CONC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(OC(F)F)c2)cc1 T30192
Cc1nnc(SCC=C)[nH]c1=O T30194
COc1cc-2c(cc1O)C(=O)c1nccc3cc(OC)c(OC)c-2c13 T30195
COc1c2OCOc2c2-c3ccccc3C(=O)c3nccc1c23 T30196
COc1ccc(Cc2sccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 T30198
C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C T3020
CC(C(O)=O)c1ccc(cc1)-c1ccsc1 T30200
CCN(CC)c1ccc(NC(=O)c2ccccc2N)c(C)c1 T30201
O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1O T30203
OC1=C(C(=O)C(O)=C(C1=O)c1ccc(O)cc1)c1ccc(O)cc1 T30204
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(C)(CO)c1ccccc1)N2C T30205
Br.CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1 T30206
[I-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c1ccccc1 T30207
[H][C@@]12C=CO[C@@H](O)[C@]1([H])C(CO)=C[C@H]2O T30209
[H][C@@]12O[C@]1([H])[C@@]13CCN(Cc4cc5OCOc5cc14)[C@]3([H])C[C@H]2OC T30210
CC(O)=O.CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C T30211
CC(C)(CS(O)(=O)=O)N(Cl)Cl T30212
COc1cc(O)c2C(=O)C3=C(C[C@@](C)(O)C[C@@H]3O)C(=O)c2c1O T30214
OC(=O)CCNCc1ccc2sc(cc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F T30215
OC(=O)C1CCN(CC1)c1ccc(F)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl T30218
O=C(C1=CC=C(OC(F)(F)O2)C2=C1)NC3CC4=C(C=CC=C4)C3 T30219
COc1c(oc(=O)c2c(O)c3c(cc12)oc(C)cc3=O)C(O)=O T30221
OC(=O)\C=C\C=C\c1ccc(O)cc1 T30223
OC(=O)c1cc(O)ccc1NC(=O)\C=C\c1ccc(O)cc1 T30224
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(O)cc1 T30225
COc1cc(\C=C\C(=O)Nc2ccccc2C(O)=O)ccc1O T30226
[H][C@]12OCC[C@@]1([H])c1c(O2)cc2C(=O)c3cc(OC)cc(O)c3C(=O)c2c1OC T30227
COc1c2O[C@@H]([C@@H](O)c2c(OC)c2ccccc12)C(C)(C)O T30228
OS(O)(=O)=O.CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC T3023
CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 T30230
O=C(Nc1ccccn1)c1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 T30231
Oc1ccc2n(Cc3ccc(F)cc3)cc(C(=O)C(=O)Nc3c(Cl)cncc3Cl)c2c1 T30232
CC(O)=O.NC(=N)N\N=C(\c1ccccc1)c1cc(Cl)ccc1N T30233
CN1c2ccc(Cl)cc2C(=N\C(=C/N2CCOCC2)C1=O)c1ccccc1Cl T30234
Clc1ccc2n(C3CCN(CC4COc5ccccc5O4)CC3)c(=O)[nH]c2c1 T30235
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO T30236
C[C@H](\C=C\[C@H](C)C(C)=C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3 T30237
CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1 T30238
COc1cccc(c1)C1(O)CC(O)CCC1CN(C)C T30239
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1F T3024
CCCCC[C@@H](O)CC[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O T30240
CCCCCC1(C)OCC(CCl)O1 T30241
CC(C)NC(=O)NS(=O)(=O)c1cnc(N)nc1N[C@H]1C[C@@H]2CC[C@@H]1C2 T30242
Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O T30243
Cc1ccc(cc1Nc1ccc2ncn(C)c(=O)c2c1)C(=O)Nc1ccnc(c1)C(F)(F)F T30244
[BrH-].CCCCCCC[N+](C)(C)[C@H]1C[C@H](CC[C@]1(C)O)C(C)C T30246
C1c2cccnc2OC11CN2CCC1CC2 T30247
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 T30248
CC(C)(C)OC(=O)NCCN1CC2CN(C[C@H](O)COc3ccc(cc3)C#N)CC(C1)O2 T30249
Cc1cccc(c1CNc2cc(cn3c2nc(c3C)C)C(=O)NCCO)C T30250
CC(C)(C)OC(=O)NCCN1C[C@H]2CN(CCOc3ccc(cc3F)C#N)C[C@@H](C1)O2 T30251
CCS(=O)(=O)Nc1ccc2n(CC3CCC(F)(F)CC3)c(nc2c1)C(C)(C)C T30252
CNc1ccc(cn1)-c1nc2ccc(O)cc2s1 T30253
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(N)c1 T30254
C[C@H](Cc1cccc(c1)-c1cc(Cc2ccccc2)ccc1C(N)=O)C(O)=O T30255
CC[C@@H](c1ccccc1)NC(=O)c2c3ccccc3nc(c2NS(=O)(=O)C)c4ccccc4 T30256
NA T30257
NA T30259
[H][C@@]12Cc3[nH]c(=O)ccc3[C@@](N)(CC(C)=C1)C2=CC T3026
C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 T30261
OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 T30267
NC1=CC(NC2=NC(C3=CN(C4=C3C=CC=C4)C)=CC=N2)=C(C=C1)OC T30268
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC(=O)N1 T30269
[Na+].CC1(C)SC2C(NC(=O)C(N=[N+]=[N-])c3ccccc3)C(=O)N2C1C([O-])=O T30271
C=CC(=O)OCCOCCOCCOCCN=[N+]=[N-] T30273
OC(C(C=C1)=CC=C1/N=N/C2=CC=C([C@@H](O)[C@H](NC(C(Cl)Cl)=O)CO)C=C2)=O T30276
OC(=O)[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O T30278
O=C([O-])[C@H](CCC(C=[N+]=[N-])=O)NC([C@H](CCC(C=[N+]=[N-])=O)NC(CC[C@@H](C(O)=O)N)=O)=O.[Na+] T30279
CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O T3028
[Na+].CC1C(NC(=O)C(=N/OC(C)(C)C([O-])=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O T30280
CC(C)C\N=c1/cc2n(-c3ccccc3)c3ccccc3nc2cc1Nc1ccccc1 T30283
Cl.CCN(CC)CC\N=c1/cc2n(-c3ccccc3)c3ccccc3nc2cc1Nc1ccccc1 T30284
CCCC(CCC)C(=O)OC(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1 T30285
CN1C(=O)C2CC1(c1ccccc1)c1ccccc1NC2=O T30286
C[C@H](N)C(=O)N[C@@H]1[C@@H]2[C@@H](O)[C@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl T30287
NCC(N)OC(CN(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O T30288
CC(=O)C(=Cc1cccc(c1)C#N)C(C)=O T30289
OS(O)(=O)=O.C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1 T3029
OC(CNCCCC)C1=CC=C(O)C=C1 T30291
CC(=O)OCc1ccc(COC(C)=O)o1 T30292
Unknown T30298
CCCc1c(cc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1)C(C)C T30299
O=C1CCC[C@H]2[C@@H]3CCCN4CCC[C@@H](CN12)[C@H]34 T3030
OCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 T30301
NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 T30302
CN1CC2=C([C@H](NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C(=O)N1 T30303
CSc1nnc(C(C)C)c(=O)n1N T30305
CCOP(=S)(OCC)Oc1cc(C)c(SC)c(C)c1 T30306
C1C2CCCCC#CC12 T30307
CC(C1=CC2=CC=C(C(C)(C)C)C(S(=O)([O-])=O)=C2C=C1)(C)C.[Na+] T30309
Cc1cccc(n1)-c1nn(cc1-c1ccnc2ccccc12)C(=S)Nc1ccccc1 T3031
[H][C@@]12CC[C@H]([C@@H](C)CC)[C@@]1(C)CCC\C2=C/C=C1\CC[C@@H](O)C(=C)[C@@H]1O T30310
Cc1c(Br)c(sc1CNCCCNc1cc(=O)c2ccccc2[nH]1)C(F)=C T30311
Oc1ccc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 T30312
CC(=O)N(CCCc1ccccc1)OCc1ccccc1 T30313
COc1cc2cc(O)nc(C)c2cc1OC T30314
CN(C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)c1ccccc1 T30315
OC(=O)Cn1c2c(Cl)cccc2sc1=O T30316
OC(=O)\C=C\C(O)=O.CN(C)CCCOC1(Cc2ccccc2)CCCCCC1 T30317
O.[Na+].[Na+].[O-]P([O-])(=O)NC(=N)NC(=N)NCc1ccccc1 T30319
CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 T3032
O=C1CN=C(c2c3CCCCc3sc2N1)c1ccccc1 T30321
Cl.CN(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 T30322
FC(F)C(F)(F)Oc1cccc(C=O)c1 T30323
Oc1cccc(\C=N\Nc2ccc(cn2)[N+]([O-])=O)c1 T30324
FC(F)(F)c1cccc(NC(=O)c2ccccc2OCCN2CCCCC2)c1 T30325
CC(C)N(CCOc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F)C(C)C T30326
O=C(NC1=CC=CC(C(F)(F)F)=C1)C2=CC=CC=C2OCCN(CC)CC T30327
O=C(NC1=CC=CC(C(F)(F)F)=C1)C2=CC=CC=C2OCCN(CC)CC T30328
O=C(NCCCC1=CNC2=C1C=CC=C2)C3=CC=CC(Cl)=C3 T30329
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T3033
O=C(NCCCC1=CNC2=C1C=CC=C2)C3=CC=CC(Cl)=C3 T30330
NC(=O)c1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T30331
CCCCCCCCOc1ccc(N)cc1C(=O)Nc1ncccn1 T30332
CCCCCCCCOc1ccc(N)cc1C(=O)Nc1nccs1 T30333
CCCCCCCCOc1ccc(N)cc1C(=O)NCCN(CC)CC T30334
CC1(C)CC(NC(=O)c2cccc(Cl)c2)C(=O)O1 T30335
O=C(NC1=CC(C(F)(F)F)=CC=C1Cl)C2=CC=CC=C2F T30336
CC(=O)OCCN(CCOC(C)=O)c1cccc(NC(=O)c2ccccc2)c1 T30337
Nc1ccc(OCCCCNC(=O)c2ccccc2)cc1 T30338
OCCNc1ccc(OCCCCCNC(=O)c2ccccc2)cc1 T30339
Cl.Cl.CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1 T3034
COCCNc1ccc(OCCCCCNC(=O)c2ccccc2)cc1 T30340
CN(CCCCCOc1ccc(N)cc1)C(=O)c1ccccc1 T30341
Nc1ccc(OCCCCCNC(=O)c2ccc(O)cc2)cc1 T30342
CCCCCCCCOc1ccc(N)cc1CNC(=O)c1ccccc1 T30343
Nc1ccc(OCCCCCCCCNC(=O)c2ccccc2)cc1 T30344
[H][C@@]12CCCC(NC(=O)c3cc(OC)c(OC)c(OC)c3)[C@]1([H])CCN(C)C2 T30345
[H][C@]12CCCC(NC(=O)c3cc(OC)c(OC)c(OC)c3)[C@]1([H])CCN(C)C2 T30346
Nc1ccc(OCCCCCN(CCCCCOc2ccc(N)cc2)C(=O)c2ccccc2)cc1 T30347
Cl.Cl.CCCCCCCCOc1ccc(N)cc1C(N)=N T30348
CCCCCCCCOc1ccc(N)cc1C(=O)Nc1ccccc1 T30349
CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1 T3034L
Nc1ccc(OCCCCCN(C(=O)c2ccccc2)c2ccccc2)cc1 T30350
CCC(C)(C)c1cccc(c1)C(C)(C)CC T30351
Fc1cccc(Br)c1 T30352
COC(COc1c(C)cccc1C)OC T30353
[O-][N+](=O)c1cccc(Cl)c1Cl T30354
OB(O)c1ccccc1 T30355
Cl.Cl.NC(=N)c1ccc(Nc2ccc(cc2)C(N)=N)cc1 T30356
CC(C)c1cccc(CCO)c1 T30357
ClCCN(CCCl)Cc1cccc(I)c1 T30358
CC(C)(O)c1cccc(Cl)c1 T30359
CC(C)c1cccc(c1)C(C)(C)O T30360
CCN(Cc1cccc(c1)S(=O)(=O)N(C)C)c1ccccc1 T30361
O=S(C1=CC=C(F)C=C1)(NC2=CC(C(F)(F)F)=CC=C2Cl)=O T30362
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(F)(F)F T30363
CCN(CCC#N)c1ccc(cc1)\N=N\c1ccc(cc1OC)\N=N\c1cccc(c1)S(O)(=O)=O T30365
Cc1cc(ccc1N)\N=N\c1cccc(c1)S(O)(=O)=O T30366
[Na+].[O-]S(=O)(=O)c1cccc(I)c1 T30367
[Na+].[O-][N+](=O)c1ccccc1S([O-])(=O)=O T30368
Cc1cccc(NS(=O)(=O)c2ccccc2)c1 T30369
Cl.Cl.CN1CCN(CC1)C(c1ccccc1)c1ccccc1 T3037
FS(=O)(=O)c1cccc(c1)S(Cl)(=O)=O T30371
CCc1cccc(c1)S(F)(=O)=O T30372
NC(c1ccccc1)c1ccccc1 T30373
[H][C@@]12CC[C@](OC(=O)c3ccccc3)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T30375
Cc1nn(C)c(OCC(=O)c2ccc(C)cc2)c1C(=O)c1ccc(Cl)c(C)c1Cl T30376
Cc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N T30377
CCNC(=O)c1cccc(c1)C(O)=O T30378
OC(=O)c1cccc(c1)S(O)(=O)=O T30379
Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(c1)C(O)=O T30380
Cl.COC(=O)c1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T30381
CCCCCCCCCCOc1ccc(N)cc1C(O)=O T30382
CCCCCCCOc1ccc(N)cc1C(O)=O T30383
CCCCCCOc1ccc(N)cc1C(O)=O T30384
CCCCCCCCCOc1ccc(N)cc1C(O)=O T30385
CCCCCCCCOc1ccc(N)cc1C(O)=O T30386
CCCCCOc1ccc(N)cc1C(O)=O T30387
CCCCOc1ccc(N)cc1C(O)=O T30388
CCCOc1ccc(N)cc1C(O)=O T30389
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O T3039
CNc1ccc(cc1)\N=N\c1cccc(c1)C(O)=O T30390
NC(=O)N(c1ccccc1)c1cccc(c1)C(O)=O T30391
Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(c1)C(O)=O T30392
COC(=O)c1cccc(OCC(O)CO)c1 T30393
Cc1ccc(C)n1-c1cccc(c1)C(O)=O T30394
Cc1ccc(C)n1-c1cccc(c1)C(=O)NN T30395
Cc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O T30396
CC(C)(N)CO.Cc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O T30397
NCCO.Cc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O T30398
C1COCCN1.Cc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O T30399
Oc1ccc2c(Oc3c(O)c(O)ccc3C22OC(=O)c3ccccc23)c1O T3040
CCOc1cccc(c1)C(=O)Oc1c(ccc2cccnc12)[N+]([O-])=O T30400
Cl.CC1CCCCN1CCCOC(=O)c1cccc(O)c1 T30401
[Na+].[O-]C(=O)c1cccc(I)c1 T30402
Ic1cccc(c1)C(=O)NNc1ccccc1 T30403
CC(C)Oc1cccc(c1)C(=O)Oc1c(ccc2cccnc12)[N+]([O-])=O T30404
Cl.Nc1ccc(OCCCCCOc2ccc(cc2)C(O)=O)cc1 T30405
CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccc(cc2)S(C)(=O)=O)cc1 T30406
CN1[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2ccccc2C1=O T30407
CCCCCCCCOc1ccc(N)cc1C#N T30408
[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 T30409
O=C(OC1=C2N=CC=CC2=CC=C1)C3=CC=CC=C3 T30410
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(N)=O T30411
CCOC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 T30412
CCCCCCCCOc1ccc(N)cc1CO T30414
COc1cc(N)ccc1OCC(O)c1ccccc1 T30415
COc1cc(N)ccc1OCCCCC(O)c1ccccc1 T30416
COc1cc(N)ccc1OCCCCC(OC(C)=O)c1ccccc1 T30417
Nc1ccc(cc1)\N=N\c1cccc(CO)c1 T30418
OC(C(Cl)Cl)c1cccc(Cl)c1 T30419
CC(CCc1ccccn1)(CCc1ccccn1)C(=O)c1ccccc1 T3042
CCCCCCCCCC(=O)OCc1ccccc1 T30420
Cl.CCN(CCCl)Cc1cccc(Cl)c1 T30422
COc1ccc2c3c(ccc2c1)[nH]c1c(C)cnc(NCCCN)c31 T30425
CC#CCC(C)C(O)\C=C\C1C(O)CC2Oc3c(cccc3CCCC(O)=O)C12 T30426
CN1CC(OC1C(C)(C)C)c1cccc(O)c1 T30427
Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 T30428
C[C@@H](NC(=O)C[C@H](N)C(O)=O)C(=O)NC1C(C)(C)SC1(C)C T30429
OP(O)(O)=O.N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 T3043
OC[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O T30430
C[N+](C)(C)CC(O)=O.OC[C@H](O)[C@H]1OC(=O)C([O-])=C1O T30431
O[C@H]1CO[C@H](O)[C@H](O)[C@@H]1O T30432
COC(CN)c1cc(OC)c(OC)c(OC)c1 T30433
CC(=C)C1CCC(C)(O)CC1 T30435
Cl.COC(=O)[C@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 T30436
CCN1C(\C=C\[C]2(C)=CC=C(C=C2)S([O-])(=O)=O)N(CC)c2ccccc12 T30437
CNc1ccc(cc1)-c1ccc2ccccc2n1 T30438
NCCc1c[nH]c2ccc(OCc3ccc4ccc(O)c(Br)c4n3)cc12 T30439
C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F T3044
COc1ccc(Cc2c(C)n(nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)C)c(F)c1 T30440
Unknown T30441
Cl.Cl.CN1CCC(CC1)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 T30443
Cl.Cl.CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC T30444
CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC T30444L
C1CCC(CC1)C1CCCCC1 T30445
O=C(OCCN1CCCC1)C1(CC2CCC1C2)c1ccccc1 T30446
CCN(CC)CCOC(=O)C(N1CCCCC1)c1ccccc1 T30447
Cl.Cl.CCN(CC)CCOC(=O)C(N1CCCCC1)c1ccccc1 T30447L
Cc1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 T30449
ClC(Cl)(Cl)C(NC(=S)Nc1cccc2cccnc12)NC(=O)\C=C\c1ccccc1 T3045
NC(=N)NC(N)=N T30450
COc1cc2OCOc2c(OC)c1C(=O)C(=C)c1ccccc1O T30451
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCc1ccccc1 T30452
CC(O)C(O)=O.COc1ccccc1CC(C)NC(C)Cc1ccccc1OC T30453
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN2CCC1CC2 T30454
CC1(C)[C@H](C=C2CCCC2)[C@H]1C(=O)OCc1coc(Cc2ccccc2)c1 T30455
CC(O)C(O)=O.OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 T30456
Cl.CCN(CC)CCOC(=O)c1cccc(c1O)-c1ccccc1 T30457
NC(=O)Nc1ccc(cc1)-c1ccccc1 T30458
CC(C)CSc1nc2ccc(cc2s1)\N=C\c1ccccc1O T30459
Cl.COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.Cl T3046
CCSc1nc2ccc(N)cc2s1 T30460
CCN1c2cc(ccc2N(C)C(=O)c2cccnc12)N=[N+]=[N-] T30461
Clc1ccc(OC(=O)Oc2ccc(Cl)cc2Cl)c(Cl)c1 T30462
[O-][N+](=O)c1ccc(OC(=O)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O T30463
O=C(OCCOCCCC)CCCCCCCCC(OCCOCCCC)=O T30464
CC(C)CP(S)(=S)CC(C)C T30465
Cc1cccc(c1)C(=O)OOC(=O)c1cccc(C)c1 T30466
O=C(OC1CCCCC1)CCCCC(OC2CCCCC2)=O T30467
Clc1ccc(OCOc2ccc(Cl)cc2)cc1 T30469
C[C@@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO T3047
CNP(=S)(N1CC1)N1CC1 T30470
CCOC(=O)C12CCC(CC1)(CC2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N T30472
CC(=C)C(=O)OCCOC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)OCCOC(=O)C(C)=C T30473
Cl.Cl.Nc1ccc(\N=N\c2cccc(c2)\N=N\c2ccc(N)cc2N)c(N)c1 T30474
Oc1ccc(cc1)C1(Oc2ccccc2NC1=O)c1ccc(O)cc1 T30476
CC(=O)Oc1ccc(cc1)C1(Oc2ccccc2NC1=O)c1ccc(OC(C)=O)cc1 T30476L
SCCOCCOCCOCCOCCOCCS T30477
OC(=O)c1ccccc1OC(=O)\C=C\C(=O)Oc1ccccc1C(O)=O T30478
Oc1cc(\C=C(/C#N)C(=O)NCCCNC(=O)C(=C\c2cc(O)c(O)c(O)c2)\C#N)cc(O)c1O T30479
CCc1ccc(\C=C2\SC(S)=NC2=O)cc1 T3048
Oc1ccc(cc1O)C(=O)CSC#N T30480
[Na+].Cn1nnnc1SCC1=C(N2C(SC1)C(NC(=O)Cc1cc(Cl)no1)C2=O)C([O-])=O T30481
CC(N)C(=O)c1ccc2OCOc2c1 T30482
C[C@H](CC1=C(CO)COC1=O)C1=CCC(C)(C)C1 T30484
Cl.CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 T30485
OC1=NC(/C=C/C2=CC=C(N3CCN(C)CC3)C=C2)=CC(/C=C/C4=CC=C(N5CCN(C)CC5)C=C4)=N1 T30486
CC1(C)Oc2ccc(cc2[C@H](\N=C(\NC#N)Nc2ccc(Cl)cc2)[C@H]1O)C#N T30487
Cl.Cl.COc1cncnc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 T30489
NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 T3049
CC(\N=C(\NC#N)Nc1ccc(cc1)C#N)C(C)(C)C T30490
OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2ccccc12)C1CC1 T30491
Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1 T30496
CC1(C)CC=C(c2ccccc2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O T30497
CC(C)Cc1ccc(c(N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C T30498
C1CNCCN(C1)S(=O)(=O)c1cccc2c1cccc2I.Cl T3050
Oc1ccc(Cl)cc1-n1[nH]c(nc1=O)-c1ccc(cc1)C(F)(F)F T30500
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C T30501
Oc1ccc(Cl)cc1-n1[nH]c(nc1=O)-c1ccccc1C(F)(F)F T30503
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1 T30504
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1 T30508
CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O T30510
C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1 T30511
CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N T30512
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO T30513
CS(=O)(=O)c1ccc(cc1)C(=C1/CCOC1=O)\c1ccc(Br)cc1 T30516
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O T3052
CC1=C([C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1)C(=O)N1CCC[C@H]1c1ccc(F)cc1 T30520
CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1 T30521
O.Cl.Cl.OCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2ccccc12 T30523
O[C@@H]1C(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)CC11CCCC1 T30524
O[C@H]1C(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)CC11CCCC1 T30525
O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl T30526
COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 T30527
OC(=O)\C=C/C(O)=O.CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N T30528
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 T30529
Cl.[H][C@@]12Cc3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 T3052L
COc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCOCC1 T3053
CC1(O/C(=C\C(=O)N(CC2=CC=C(C=C2)F)OC)/C(=O)O1)C T30530
CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)[C@@]4(CCN(C4=O)[C@H](CC(C)C)C(=O)NO)N T30531
Fc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 T30532
CCOc1ccc(cc1)C(O)c1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T30534
C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 T30535
COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F T30539
C[C@@]12C[C@H](O)[C@]3(CCO[C@H]4[C@@H]3[C@@H]1C(=O)N4c1ccc(C#N)c(c1)C(F)(F)F)O2 T30541
Unknown T30543
NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 T30544
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 T30545
Cn1nnnc1C(\C=C\[C@H]1C[C@H](O)CC(=O)O1)=C(c1ccc(F)cc1)c1ccc(F)cc1 T30547
Cl.Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(F)cn1 T30548
FC(F)(F)c1nccc(n1)N1CCC(CN2CCCC2=O)CC1 T30549
[Na+].Cn1nnnc1C(\C=C\C(O)CC(O)CC([O-])=O)=C(c1ccc(F)cc1)c1ccc(F)cc1 T30550
CN1CCC(CC1)=C1c2cc[se]c2C(=O)Cc2ccccc12 T30551
CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1ccccc21)c1ncc([nH]1)-c1ccccc1 T30552
CCCCCC1(CCCCC)N[C@H](Cc2c1[nH]c1ccccc21)c1ncc([nH]1)-c1ccccc1 T30553
CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O T30557
[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(=O)CC)C=C3CC[C@@]21[H] T30558
COc1cc2O[C@@H](CC(=O)c2cc1CC=C(C)C)c1ccc(O)cc1 T3056
[H][C@@]12CC[C@H](OC(=O)C34CC5CC(CC(C5)C3)C4)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T30560
CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O T30563
OC(Cc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O T30564
OC(Cc1cccc(c1)-c1ccc(cc1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O T30565
OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O T30566
OC(COc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O T30568
CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)([O-])=O T30569
OP(O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 T30570
CSc1ccccc1-c1ccccc1N T30571
NA T30573
Cl.O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 T30574
CC(C)[C@H](N)C(O)=O.CC[C@H](C)[C@H](N)C(O)=O.CC(C)C[C@H](N)C(O)=O T30575
CO\N=C\[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C T30576
[H][C@@]12C[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@@H](CO)[C@]1([H])Oc1ccc(cc21)N(C)C T30577
CN1CCc2c(C1)c1ccccc1n2Cc1ccc(C(=O)NO)c(C)c1 T30578
CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)cc1N T30579
FC(F)(F)c1cccc(\C=C2/SC(=O)NC2=O)c1 T3058
COc1ccc(CCNc2c(CC=C)c(C)c(C#N)c3nc4ccccc4n23)cc1OC T30581
Cc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1 T30582
Cc1[nH]c2ccccc2c1C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 T30583
CC(=O)N1N=C(CC1c1ccco1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 T30584
CC(C)(CCc1ccccc1)NCC(O)c1ccc2NC(=O)CCc2c1 T30586
Cc1cc2C(=O)c3nn[nH]c3C(=O)c2cc1C T30587
OC(=O)[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1 T30588
[H][C@]12[C@@H](C)N(C)CN1c1ccccc1Cc1ccccc21 T30589
OC(=O)COc1ccc2c(noc2c1Br)-c1ccccc1F T30590
Cl.COc1cc(Br)c2oc(cc2c1)C1CCNCC1 T30591
[H][C@@]12CCCCN1CCC[C@]2(CBr)COC T30594
CC(=O)Oc1c(Br)cc(Cl)cc1C(=S)Nc1ccc(Br)cc1 T30596
O=C(ON1C(C(S(=O)(O)=O)CC1=O)=O)CCCC(ON2C(C(S(=O)(O)=O)CC2=O)=O)=O T30597
Cl.O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 T3060
OC(=O)CC1N(NC(=O)c2ccc(Cl)cc12)c1ccc2snnc2c1 T30602
CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccc(SCc2ccc(F)cc2)cc1 T30603
C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc(N=[N+]=[N-])c3s2)C(F)(F)F)O1 T30604
Cl.Cc1ccc(OCC(O)CNC(C)(C)C)c2oc(=O)ccc12 T30606
CC(C)Cn1nc(c(c1CC(O)=O)-c1ccccc1)-c1ccccc1 T30609
c1cc(cc2c1C(=O)N(C)Cc1c(c3cc(O[C@@H]2C)c(nc3)N)c(n(n1)C)C#N)F T3061
CCc1cccc2cc(oc12)C(O)CNC(C)(C)C T30611
COc1cc(NC(C)CCCN\C(C)=C2\CCOC2=O)c2ncccc2c1 T30612
C1CC(=O)c2c(c(OC[C@@H](O)CNC(C)(C)C)ccc2)C1.Cl T30614
CCCCc1ccc(nc1)C(N)=O T30615
NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(N)=O T30616
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC T30618
CC(C)=CC1C(C(=O)OC\C=C(/Cl)Cc2ccccc2)C1(C)C T30620
CCc1cccc(CC)c1N(COC\C=C/C)C(=O)CCl T30622
[Na+].[Na+].CC(C)CC1(CC=C)C(=O)[N-]C(=S)[N-]C1=O T30623
CC(C)CC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O T30624
CN1C[C@H](O)N(C1=O)c1nnc(s1)C(C)(C)C T30625
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1O T30626
N[C@H]1CC[C@@H](CC1)c1ccccc1.CC[C@H](C(O)=O)c1ccc(cc1)-c1ccccc1 T30627
CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(O)=O T30629
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 T3063
C[C@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1 T30630
[Cl-].CC(CC1c2ccccc2CCc2ccccc12)C[NH+](C)C T30632
CCCCOC(=O)C(Cl)Cl T30633
CCCCCCCCCC(=O)OCCC(C)OC(=O)CCCCCCCCC T30634
CCOC(CCCOc1ccc(N)cc1)OCC T30636
CCC(C)(C)C(NC1=CC=CC(OC(NC)=O)=C1)=O T30637
CCC(CCO)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T30638
CC(O)CC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T30639
CCCC(=O)OCC[N+](C)(C)C T30640
Cc1nc(N)nc(N)c1-c1c(Cl)cccc1Cl T30644
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(\C=C\C(O)=O)cc1 T30646
Cl.CCOC(=O)[C@H](CCSC)Nc1c2ccccc2nc2cccc([N+]([O-])=O)c12 T30647
Oc1ccc2ccccc2c1\N=N\c1cccc2ccccc12 T30648
[Na+].Cc1cc(ccc1\N=N\c1c(O)ccc2ccccc12)S([O-])(=O)=O T30649
[Na+].Oc1ccc2ccccc2c1\N=N\c1cc(cc(c1O)[N+]([O-])=O)S([O-])(=O)=O T30650
[Na+].[Na+].Oc1ccc(cc1C([O-])=O)\N=N\c1ccc(cc1)\N=N\c1ccc(cc1)S([O-])(=O)=O T30653
COc1ccccc1NC(=O)c1cc2ccccc2cc1O T30654
[ClH-].COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1 T30656
NA T30657
Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)cc1 T30658
[Na+].Cc1ccc(Nc2ccc3n(C)c(=O)cc4-c5ccccc5C(=O)c2c34)c(c1)S([O-])(=O)=O T30659
[Na+].Oc1ccc(\N=N\c2ccc(cc2)S([O-])(=O)=O)c2ccccc12 T30663
[Cl-].Cn1c(c(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c2ccccc12)-c1ccccc1 T30664
[Al+3].OS(=O)(=O)c1ccc2N\C(C(=O)c2c1)=C1/Nc2ccc(cc2C1=O)S(O)(=O)=O T30666
Nc1ccc2ccccc2c1\N=N\c1ccccc1 T30667
[Na+].[Na+].[O-]S(=O)(=O)c1cc(c2nc(ccc2c1)C1C(=O)c2ccccc2C1=O)S([O-])(=O)=O T30668
O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 T3067
Oc1ccc2ccccc2c1\N=N\c1ccc(cc1Cl)[N+]([O-])=O T30670
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3C(=O)c4ccccc4C(=O)c23)cc1 T30672
O=c1c2ccccc2c2ccc3c4c(ccc1c24)c1ccccc1c3=O T30674
O=C(C1=C(NC(/C=C/C2=CC=CO2)=O)SC=C1C3=CC=C(C)C=C3)O T30675
Cl.Cl.CCOc1ccc(cc1)-c1cn2c(n1)n(CCN(CC)CC)c1ccccc21 T30676
COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2\C=C\c2ccc(O)cc2)cc1 T30678
C(CCCCC)CCCCO T30679
O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 T3068
O[C@H](COP(O)(O)=O)[C@@H](O)[C@](O)(COP(O)(O)=O)C(O)=O T30681
O=C(OCCOCCCC)CCCCCCCCC(OCCOCCCC)=O T30683
C[C@H]1CN(CCN1)c1c(F)cc2c(c1OC(F)F)n(cc(C(O)=O)c2=O)C1CC1 T30684
O=C(O)C(CC)[C@H]1CC[C@H](C)[C@H](/C(CC)=C/C=C/C2[C@@H](C(C3=CC=CN3)=O)[C@]4([H])CCC[C@@]4([H])C=C2)O1 T30685
CC(NCCn1cnc2n(C)c(=O)n(C)c(=O)c12)C(O)c1ccccc1 T30686
Cl.C[C@H](NCCn1cnc2n(C)c(=O)n(C)c(=O)c12)[C@H](O)c1ccccc1 T30686L
CCCCCCCCCC(=O)C(O)CC T30687
NA T30688
[Ca++].CCCCCCCCCC([O-])=O.CCCCCCCCCC([O-])=O T30689
C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 T3069
[Ca++].NC(CCC(O)=O)C([O-])=O.NC(CCC(O)=O)C([O-])=O T30691
[Ca++].OP([O-])([O-])=O T30694
[H][C@]12[C@@H](CC[C@]1(C)[C@@H](O)C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C T30695
CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1 T3070
[Na+].c1cccc2n(c3ccccc3c(c12)=O)CC(=O)[O-] T30700
COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O T30701
[Na+].Cc1cc(=O)oc2cc([O-])ccc12 T30703
[H][C@@]12Cc3ccc(OC)c(OC)c3CN1CCc1cc(OC)c(OC)c(O)c21 T30704
CCCCCCCCCC(=O)NCCC[N+](C)(C)[O-] T30705
CCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O T30706
CC(C)c1cccc(OC(=O)N(C)Sc2ccc(cc2)C(C)(C)C)c1 T30707
Cl.CCCCCCOc1cccc(NC(=O)OC2CCN(CCCC)CC2)c1 T30708
Oc1cccc(NC(=O)OCc2ccccc2)c1 T30709
CC(C)c1cccc(OC(=O)N(C)Sc2ccccc2)c1 T30710
CNC(=O)Oc1cccc(OCOCC#C)c1 T30711
CC(C)c1cccc(OC(=O)N(C)P(C)(C)=S)c1 T30712
CC(C)c1cccc(OC(=O)N(C)S)c1 T30713
CCN(CC)c1cccc(OC(=O)NC)c1 T30714
Cl.CCCCCCOCc1cccc(NC(=O)OCCN2CCCC2)c1 T30715
Cl.CCCCCCOCc1cccc(NC(=O)OCCN2CCCCCC2)c1 T30716
Cl.CCCCCCOCc1cccc(NC(=O)OCCN2CCCCC2)c1 T30717
Cl.CCCCCOCc1cccc(NC(=O)OCCN2CCCC2)c1 T30718
Cl.CCCCCOCc1cccc(NC(=O)OCCN2CCCCCC2)c1 T30719
O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@@H]1CCCN1 T3072
Cl.CCCCCOCc1cccc(NC(=O)OCCN2CCCCC2)c1 T30720
CCN(CC)CCOC(=O)Nc1cccc(OCCOC)c1 T30721
Cl.CCOc1cccc(NC(=O)OCCN(C)C)c1 T30722
CCOc1cccc(c1)N(C(=O)OCCN(CC)CC)c1ccccc1 T30723
CCOc1cccc(c1)N(C(=O)OCCN(C)C)c1ccccc1 T30724
Cl.CCCCCCCOc1cccc(NC(=O)OCCN(C)C)c1 T30725
Cl.CCCCCCCOc1cccc(NC(=O)OCCN2CCCCC2)c1 T30726
Cl.CCCCCCOc1cccc(NC(=O)OC2CCCCC2N2CCCC2)c1 T30727
Cl.CCCCCCOc1cccc(NC(=O)OC2CCCCC2N(CC)CC)c1 T30728
Cl.CCCCCCOc1cccc(NC(=O)OCCN(C)C)c1 T30729
Cl.Cl.Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1 T3073
Cl.CCCCCCOc1cccc(NC(=O)OC2CCCCC2N2CCCCC2)c1 T30730
CNC(=O)Oc1cccc(NC(=O)OCCOC)c1 T30731
Oc1cccc(NC(=O)OC2CCCCC2)c1 T30732
O=C(OCC=C)NC1=CC=CC(O)=C1 T30733
CNC(=O)Oc1cccc(NC(=O)OC)c1 T30734
COC(=O)N(C)c1cccc(OC(=O)N(C)C)c1 T30735
CSC(=O)Nc1cccc(O)c1 T30736
[Na+].Oc1ccccc1C([O-])=O.CN1CC(O)C2=C\C(=N\NC(N)=O)C(=O)C=C12 T30738
Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O T3074
CCOC(=O)NC(O)C(Cl)(Cl)Cl T30740
CCOC(=O)c1cccn1[C@H](C)c1ccccc1 T30741
CCCCCCCCOC(=O)OCc1cccc(I)c1 T30744
NC(=O)OC[C@@H](O)c1ccccc1Cl T30748
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 T30749
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC1CCCCC1 T3075
O[N+]([O-])=O.NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T30750
CC(C)NC(=O)OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 T30752
C[C@H]1O[C@@]1(C)C(=O)O[C@H]1[C@H](OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21 T30754
CC(=C)C1CC=C(C)[C@@H](O)C1 T30755
CCC(=O)OC1CC(CC=C1C)C(C)=C T30756
[H][C@]12CC\C(=C/C(=O)OCCN(C)C)[C@H](C)[C@]1([H])C(=O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C T30757
Clc1cc2c(Oc3cc(OCC=C)c(Cl)cc3C22OC(=O)c3ccccc23)cc1OCC=C T30758
[O-][N+](=O)c1ccc(N2CC2)c(c1)[N+]([O-])=O T30759
N#CC1=NC=C(COC2=CC=C(C3=CC=CC4=NC(NC(=O)C5CC5)=NN34)C=C2)C=C1 T3076
Cc1c(CNc2ccc(cc2)C(=O)N[C@H](CCC(O)=O)C(O)=O)ccc2nc(N)nc(N)c12 T30761
Nc1nc(=O)c2cc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1 T30762
Nc1nc(=O)c2cc(CN(CCF)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1 T30763
CCC(O)(CC)CCCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C T30765
Cc1ccccc1COc1ccccc1\C=C\C=O T30768
CNc1nc(nc(n1)N(C)CO)N(C)CO T30769
Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 T3077
Nc1cccc2C(=O)N(C3CC(O)C(=O)NC3=O)C(=O)c12 T30770
NC(=O)C(CCC(O)=O)N1C(=O)c2cccc(N)c2C1=O T30771
Nc1c2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2ccc1O T30772
Nc1ccc(O)c2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T30773
COC(=O)[C@@H](CN1Cc2ccccc2C1=O)c1ccc(OC)c(OC)c1 T30774
NC(=O)CCC(N1C(=O)c2cccc(N)c2C1=O)C(O)=O T30775
Fc1cc(cc(c1)-c1ccncc1)C(=O)N1CC(CC(F)(F)C1)C(=O)Nc1ccc(Cl)cc1 T30778
CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 T3078
O=C(N1CCN(C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C4=NN(C)C(C)=C4 T30780
Unknown T30781
CC1=CC(\C=C\c2cc(C)ccc2O)=[N+]2C1=C(CCNC(=O)CCl)c1cccn1[B-]2(F)F T30783
[H][C@@]12CCC(=C)[C@]11C[C@@H]([C@H](C)CC1)C2(C)C T30784
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C(O)=O T30785
[H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@H]2N)C([O-])=O T30786
[Na+].CO\N=C(/C(=O)NC1C2SCC(C)=C(N2C1=O)C([O-])=O)c1csc(N)n1 T30787
[Na+].CO\N=C(/C(=O)NC1C2SCC(C3CCCO3)=C(N2C1=O)C([O-])=O)c1csc(N)n1 T30789
Cc1cn([C@@H]2O[C@](CO)(C=C2)C#C)c(=O)[nH]c1=O T30791
Cl.CCCCNc1c2CCCCc2nc2ccccc12 T30793
Oc1ccc(\C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)cc1Br T30794
CN(C)CCCOc1ccc2n[nH]c(c2c1)S(=O)(=O)c1cccc2ccccc12 T30798
Cl.CNC(=O)COc1ccccc1OCC(O)CNC(C)(C)C T30799
CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O T3080
CC(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl T30800
[Cl-].CCOC(=O)OCCC1=C(C)[N+](Cc2cnc(C)nc2N)=CS1C(=O)OCC T30801
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC T30802
O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 T30804
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12 T30805
CCN(CC)CCN(C)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)Nc1cnccc1C T30807
Oc1ccc(Nc2nc(cs2)-c2ccc(OC(F)F)c(OCC3CC3)c2)cc1 T30808
NC[C@@H](CC(O)=O)c1ccc(F)cc1 T30810
CC(C)NC[C@@H](O)COc1cccc2=NC(=O)N=c12 T30811
Cc1cc(=O)oc2ccc(NC(=O)C(O)=O)cc12 T30812
C[N+]1([O-])CCN(CC1)C(=S)Nc1ccc(Nc2ccc(cc2)[N+]([O-])=O)cc1 T30813
COc1cc2nc(sc2cc1NC(=S)N1CCN(C)CC1)C(C)(C)C T30818
COc1cc2nc(sc2cc1NC(=S)SCCC(O)=O)C(C)(C)C T30819
CNN(C(=S)N1CCNCC1)c1cc2sc(nc2cc1C)C(C)(C)C T30820
CCCCc1ccc(=NNC(=O)CC[C@H](NC(C)=O)C(O)=O)[nH]c1 T30821
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(OC(F)F)cc1)C(=O)OC2 T30823
Cl.COc1cc(OC)cc(c1)C(=O)N1CCN(CCc2ccc(Cl)cc2)CC1 T30824
COc1cc(ccc1-n1cnc(n1)C(N)=O)C(C)(C)c1ccc(Cl)cc1 T30825
CCC\C(CP(O)(O)=O)=C\[C@@H](N)C(O)=O T30830
OC1=C(C(=O)Nc2cccc(Cl)c2Cl)C(=O)OC2(CCCCC2)O1 T30831
CCOC(=O)[C@@H](/C=C(\C)/CP(=O)(O)O)N T30832
[BrH-].CCOC(=O)C[n+]1cc(CO)c(\C=N\Nc2ccccn2)c(O)c1C T30833
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ncnn1 T30834
CN(CCCOc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O T30836
FC(c1ccc(cc1)C#N)(c1ccc(cc1)C#N)n1cncn1 T30837
CNC(=S)N\N=C1\SCC(=O)N1CC=C T30838
O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1 T3084
CCO[C@H]1O[C@H]([C@@H](CNC(=O)N(C)N=O)OC)[C@H](OC)[C@H]1O T30842
OC(=O)CCSC(=S)Nc1ccc(Nc2ccc(cc2)[N+]([O-])=O)cc1 T30843
CC(C)(C)c1nc(c([nH]1)-c1cccnc1)-c1ccc(O)cc1 T30844
Cl.OC(=O)c1ccc(NC(=O)NCCN2CCN=C2c2ccncc2)cc1 T30845
Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F T30846
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H]1CCc2ccccc2N(CC(O)=O)C1=O T30847
OC(=O)c1cn(Cc2c(F)cccc2F)nn1 T30848
Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C T30849
CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CCO)CC3)c2c1 T3085
OC(=O)C1CC(NC(=O)Cc2ccc(cc2)N=[N+]=[N-])c2c(Cl)cc(Cl)cc2N1 T30850
[Na+].CCOC(=O)CN(CCN(CC([O-])=O)Cc1ccccc1O)Cc1ccccc1O T30852
CCOC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc1ccccc1O T30852L
COCCNCCOc1ccc(cc1)-n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 T30854
COc1cccc(c1)-c1cn(-c2ccc(CCN3CCC(O)CC3)cc2)c2ncnc(N)c12 T30855
CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@H]3CC[C@H](O)CC3)nc12 T30856
COc1cc2CCn3c(c(sc3=N)C#N)-c2cc1OC T30858
C(C1CN=C(NO1)c1ccccc1)N1CCc2ccccc2C1 T30859
c1c(C)n2c(=O)c(CC)c(C)nc2cc1 T30860
[ClH-].O=C(C[n+]1ccc2sccc2c1)c1ccccc1 T30861
[Na+].COc1ccc(CCC(=O)c2ccc(OCCCS([O-])(=O)=O)cc2O)cc1O T30862
[Na+].CC1(C)Nc2ccccc2C(CS([O-])(=O)=O)=C1 T30863
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)\C=C\c1ccc(cc1)C(O)=O T30864
CC(C)NC(C)C.OC(=O)COc1ccc(Cl)cc1 T30866
CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 T30867
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(n1)S(N)(=O)=O T30868
[H][C@]12N3[C@@H](C)C(=O)N1c1ccccc1[C@@]2(O)C[C@H](C3=O)n1cnc2ccccc2c1=O T30869
CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O T3086L
[H][C@@]12OC(=O)C(=C)[C@@]1([H])[C@H](O)[C@@H](OC(=O)C=C(C)C)C(C)=C1C(=O)C=C(C)[C@@]21O T30871
O=C1N(C)C2=C(C=C(Br)C=C2)C13SC(C4=CC=CC=C4)=NN3 T30873
COC(=O)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 T30874
COc1ccc2CC(CCc2c1OC)NC(C)C(O)c1ccc(O)cc1 T30875
Cl.CCc1ccccc1NC(=O)Oc1ccc2N[C@@H]3[C@@](C)(CCN3(C)=O)c2c1 T30876
Cl.CNC1CCc2c(C1)ccc(O)c2O T30877
NC(=O)[C@H](CO)NC1Cc2ccccc2C1 T30878
OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F T30879
CCN1C(=O)C=CC1=O T3088
COCC(=O)N(CC(N)=O)c1nc(NCc2ccc(cc2)C(F)(F)F)c2ncn(C)c2n1 T30882
[O-][N+](=O)c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)nc1 T30884
COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O T30885
COP(=O)(OC)C(OC(C)=O)C(Cl)(Cl)Cl T30886
[Na+].Nc1cc(Cl)cc(C([O-])=O)c1Cl T30888
ClNS(=O)(=O)c1ccccc1 T30889
Nc1nc(S)c2nc[nH]c2n1 T3089
OCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(Cl)Cl T30890
O=C(NC1CCCCC1)NS(=O)(C2=CC=C(Cl)C=C2)=O T30891
ClC1=C(Cl)C2(Cl)C3C=CCC3C1(Cl)C2(Cl)Cl T30892
COC(=O)C(Cl)Cc1ccc(Cl)cc1 T30893
Cc1cc(c(N(CCCl)CCCl)c(c1)[N+]([O-])=O)[N+]([O-])=O T30895
CCCCCCCCCCCl T30897
OC(=O)C(Cl)(Cl)CCl T30898
OC[C@H]1OC(O)[C@@](O)(NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O T30899
[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O)C(C)C T3090
Cl.CC(C)(N)Cc1ccc(Cl)cc1 T30901
CC(Oc1ccc(Cl)cc1C)C(O)=O.CN(C)C(=O)Nc1ccc(C)c(Cl)c1 T30902
COc1ccc(C(=O)c2cn(CC3CCCCC3)c3ccccc23)c2ccccc12 T30903
C[N+](C)(C)CCO.CCCCn1c2nc[nH]c2c(=S)n(CC)c1=O T30905
Cl.CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1 T30907
ClCCNC(=O)N(CCCl)N=O T3091
NCCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(O)=O T30912
CNCCCN1c2ccccc2NC(=O)c2ccccc12 T30913
CCN(CC)CC[C@]1(CN(N(C)Cc2cccc(OC)c2Cl)c2ccccc12)c1ccccc1 T30915
CC(C)(CCCOc1ccc(OCCCC(C)(C)C(O)=O)c(c1)-c1ccccc1)C(O)=O T30917
CCOC(=O)C1=C(C)Nc2ccnc(OC(C)C)c2[C@H]1c1ccccc1C(F)(F)F T30918
Cl.CN1CCC=C(C1)C(\C)=N/OC(C)=O T30919
C[N+](C)(C)CCO.CC(C)(C)c1cc(cc(c1[O-])C(C)(C)C)-c1n[nH]c(=S)s1 T30920
Clc1cc(Cl)c2CN3CCCCCC3=Nc2c1 T30922
Cc1cc2CCN3c2c(c1)C(=NC(NC(=O)c1ccncc1)C3=O)c1ccccc1 T30923
CC(C)[C@]1(CCc2ccc(N)cc2)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 T30924
COc1c(oc2c3cc(OC)ccc3n(-c3ccccc3)c12)C(=O)Nc1nnn[nH]1 T30925
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O T30926
COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1 T30927
Cl.CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#N T30929
Cl.Cl.Cl.Cl.NCCCNCCCCNCCCN T3093
Cl.Oc1cccc(c1)C1CNC2(CCCCCC2)O1 T30930
C[C@@H]1C[C@H](CC(C)(C)C1)OC(=O)c1cccnc1 T30931
[Br-].CC[N+](C)(CC)CCOC(C)(C1CC2CC1C=C2)c1ccccc1 T30932
CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c1csc2ccccc12)C(=O)Nc1ccccc1 T30933
O.Cl.Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13 T30936
COc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O T30937
Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1 T3094
[H][C@@]12CC[C@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCCC3=CC[C@@]21[H] T30942
CC(C(O)c1ccccc1)N(C)C\C=C\c1ccccc1 T30943
C\C(=C/c1cccc(Cl)c1)C(=O)Oc1c(ccc2cccnc12)[N+]([O-])=O T30944
OC1N=C(c2ccccc2F)c2cc(Cl)ccc2N(CCC#N)C1=O T30945
CCCCCC1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O T30946
O=C(CN1CCCC1)NC1[C@@H]([C@H]1c1ccccc1)c1ccccc1 T30947
CC(C)=CCC\C(C)=C\C=N\O T30949
c1cc(ccc1CCN)O T3095
C[C@@H](CCOC(C)=O)CCC=C(C)C T30951
Cc1ccc2c([nH]c3ccccc3c2=O)c1C T30952
C[C@]1(Br)CS\C(=N/c2ccccc2)N(C1=O)c1ccccc1 T30953
CCc1[nH]c(=O)[nH]c1C(=O)c1ccc(cc1)-n1ccnc1C T30954
CCc1[nH]c(=O)[nH]c1C(=O)c1ccc(cc1)-n1ccnc1 T30955
CCc1[nH]c(=O)n(C(=O)c2ccccc2)c1C(=O)c1ccc(cc1)N1CCN=C1C T30956
CCOC(=O)C1=NN(C)c2cnn(Cc3ccc(Cl)cc3)c(=O)c2C1(C)C(=O)OCC T30959
[K+].CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC2(O)CCC([O-])=O T3096
NCCNc1ccc(NCCN)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 T30960
CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F T30961
COP(=S)(OC)N=C1SCCS1 T30962
OP(O)(O)=O.CN1CCN(CC1)C1=Nc2ccccc2Oc2ccccc12 T30963
Cl.Cl.CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O T30964
CCCCN1CCCC1=Nc1ccc(Cl)c(Cl)c1 T30966
Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O T30969
Cc1c2COC(=O)c2c(O)cc1O T3097
[H][C@]12CCN(C)C\C=C(\COC(=O)[C@@](C)(OC(C)=O)[C@@H](C)\C=C(C=C)/C(=O)O1)C2=O T30970
Clc1ccc(cc1)-c1oc(=O)oc1CCN1CCN(CC1)c1ccccc1 T30972
NS(=O)(=O)c1ccc(Cl)c(c1)S(N)(=O)=O T30973
CCc1c(C(O)=O)c(=O)cnn1-c1ccc(Cl)cc1 T30974
CCN(CC)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1 T30975
CC(=O)N[C@@H](CSC(=S)C(C)(C)Oc1ccc(Cl)cc1)C(O)=O T30976
CN(C)C(=O)CCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 T30977
FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl T30978
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=C[C@H](CC[C@]12C)OC(C)=O T30979
CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc12 T30980
COC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(O)=O)c1ccc(Cl)c(Cl)c1 T30981
ClCC(NC(=O)C(Cl)Cl)C(=O)c1ccc(Cl)cc1 T30982
NS(=O)(=O)c1cc2C(=O)N(Cc2cc1Cl)C1CCCCC1 T30983
Cl.Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=O)c1ccc(Cl)cc1 T30984
CC(C)OC(=O)Nc1ccccc1.CC(C)OC(=O)Nc1cccc(Cl)c1 T30985
Cl.CC(C)(N)Cc1ccccc1Cl T30986
Unknown T30989
CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3cc(CCl)ccc23)c1 T30990
O=C(OC)C(NC(C)=O)CSC1=CC=C([N+]([O-])=O)C2=NON=C21 T30992
CC1SCC(NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O T30993
[Co++].CCCCCCCCCC([O-])=O.CCCCCCCCCC([O-])=O T30994
Oc1ccc(Cc2nc3c(Cc4ccccc4)[nH]c4-c5ccc(O)cc5CCc4n3c2=O)cc1 T30995
COc1cc2CC=Cc3cc(=O)c(OC)ccc3-c2c(OC)c1OC T30999
CCOC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 T3100
COc1cc2CC[C@H](N)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC T31000
COc1cc2CC[C@H](NC(C)=O)c3cc(ccc3-c2c(OC)c1OC)C(O)=O T31001
CC(C)=CCC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O T31002
COc1cccc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 T31004
Clc1ccccc1NC(=O)c1c[nH]c2ccccc12 T31005
[H][C@]12COC(=O)[C@]1([H])Cc1cc(OC)c(O)cc1[C@@H]2c1ccc(O)c(OC)c1 T31007
NC(=O)CC[C@H](NC1(O)CC1)C(O)=O T31009
CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23 T3101
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T31010
[Cl-].COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC T31011
CN(C)c1ccc2cc3c4CCCCCc4c(N)cc3nc2c1 T31012
O=C(C1(C2=CC(OCO3)=C3C=C2)CC1)NC4=NC=C([C@H](C5=CC=CC=C5Cl)N6C[C@H](O)CC6)S4 T31013
COc1ccc(Cl)cc1Nc1nc(cs1)-c1sc(NC(=O)c2ccccc2)nc1C T31014
O=CC(=O)c1cc2ccccc2oc1=O T31015
COc1cccc2cc(C(=O)C=O)c(=O)oc12 T31016
OC(=O)c1cn(C2CC2)c2c(F)c(c(F)cc2c1=O)-c1ccc(O)cc1 T31018
O[C@H](COc1cccc2ncccc12)CN1CCN(CC1)C1c2ccccc2CCc2ccccc12 T31019
Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F T3102
Cl.CC1=C(CC(=O)NCc2ccccc2)c2cc(F)ccc2\C1=C/c1ccncc1 T31020
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccc(cc1)N=[N+]=[N-] T31022
Br.O[C@@H]1CCCN[C@@H]1CC(=O)Cn1cnc2cc(Cl)c(Br)cc2c1=O T31023
[Na+].CC(O)C1C2SC(SC3CCS(=O)C3)=C(N2C1=O)C([O-])=O T31025
Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 T31026
CCn1cc(C(O)=O)c(=O)c2cc(F)c(-c3ccncc3)c(F)c12 T31027
CCn1cc(C(O)=O)c(=O)c2cc(F)c(-c3ccc(O)cc3)c(F)c12 T31028
Cc1c(Br)cc(NCC(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)cc1Br T3103
CN1[C@H]2CC[C@@H]1CN(C2)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T31031
COc1cccc(c1)-c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T31032
OC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 T31034
[H][C@@]12CN(CC1[C@H]2N)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T31036
NC(=O)N1C(=O)\C(=C(/O)c2cc(Cl)cs2)c2cc(F)c(Cl)cc12 T31037
C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1csc(n1)C(F)(F)F T31038
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 T31039
O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F T31042
CCc1nn(C2CCCC2)c2c1CCN(C2=O)c1ccccc1C T31044
CN[C@@H]1CC[C@H](c2ccccc2)c2ccccc12 T31045
O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(O)(Cc2ccccc2)CC1 T31046
CC(C)(C)CN1c2ccc(Cl)cc2C(OC(CC(O)=O)C1=O)c1ccccc1Cl T31047
OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 T31048
Nc1ccc(cn1)[C@@H](O)CNCCOc1ccc(CC(O)=O)cc1 T31049
FC(F)(F)c1ccc2ccc(\C=C\C(=O)c3ccncc3)nc2c1 T3105
CCCCC\N=c1\ccn(Cc2ccccc2)c2ccccc12 T31050
COC(C)c1c(O)c(=O)cc(C)n1C T31051
Cl.CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C T31052
Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1 T31053
O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F T31054
COCCOc1cc2ncnc(Nc3cccc(CC(O)=O)c3)c2cc1OCCOC T31055
CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1 T31056
CCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2n1 T31057
CC1=C(CC(=O)NCc2ccccc2)c2cc(F)ccc2\C1=C/c1ccncc1 T31058
Clc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 T3106
CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(ccc23)C(=O)NCc2cccnc2)C1 T31060
CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O T31061
CSc1n(CC(N)=O)c[n+]2cc(sc12)C1=C(N2[C@@H]([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O T31062
ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 T31063
[Cl-].CSc1n(C[C@H](O)CN)c[n+]2cc(sc12)C1=C(N2[C@@H]([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O T31064
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C([O-])=O)c1cn2cnc(C(=O)c3ccc[n+](CC(N)=O)c3)c2s1 T31065
FC(C1=CC=C2[C@](C3)([H])CNC[C@]3([H])C2=C1)(F)F T31066
c1cc2c(cc1C(F)(F)F)[C@@H]3C[C@H]2CNC3 T31067
CCCNCCOc1ccc(NC(=O)c2c[nH]c3CCCC(=O)c23)cc1F T31069
C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc(C)nc(C)n1 T31070
COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 T31073
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CO T31074
Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 T31075
CS(O)(=O)=O.CN1[C@H]2CC[C@@H]1CN(C2)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T31076
[Na+].CC1CC(O)(CC([O-])=O)c2cc(F)c(Cl)cc2O1 T31077
COc1ccc(cc1O[C@H]1C[C@@H]2CC[C@H]1C2)C1CNC(=O)NC1 T31078
Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2 T31079
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO T3108
O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12 T31080
CC[C@]1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 T31081
CCCNC(=O)O[C@@H]1[C@H](C)[C@@]2(C)CC3=C(C)C(=O)N(C)C3=CC2=C[C@H]1OC T31082
CC(C)c1ccc(COC(=O)N2CCC[C@H](C2)c2cccc(OC(C)(C)C(O)=O)c2)cc1 T31083
CO[C@@H]1C=C2C=C3OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)[C@H]1OC(=O)NC1CC1 T31084
Cc1nc2cnccc2n1-c1ccc(Cn2c3ccccc3sc2=O)cc1 T31085
CCCn1c(=O)n(CCC[18F])c2nc([nH]c2c1=O)C1CCCC1 T31086
CC(=O)N(CCOc1cccc2ccccc12)CCc1ccc(NS(C)(=O)=O)cc1 T31087
C=CCOC(=O)OCCOCCOC(=O)OCC=C T31089
O=C1c2ccccc2-c2[nH]nc3cccc1c23 T3109
Cc1c(CCC2=CC(\C=C\c3cnn(c3C)-c3ccccc3)=[O][B](F)(F)O2)cnn1-c1ccccc1 T31091
Cc1ccccc1Oc1cccnn1 T31092
Cc1cccc(OC(=O)c2ccccc2)c1 T31093
[O-]C1=CC=C(C(C2=CC=CC=C23)(C4=CC=C(O)C=C4C)OS3(=O)=O)C(C)=C1.[Na+] T31094
COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1 T31095
CC(C1=C(C=CC(=C1Cl)F)Cl)O T31097
CC(C)NC(=O)O\C(C)=C\C(=O)Nc1ccccc1 T31099
O=C1C(=Cc2cccnc2)C(=O)c2ccccc12 T3110
CC(C)=CC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T31100
COc1cc2CCN(C)Cc3c4OCOc4ccc3CC(=O)c2cc1OC T31102
Oc1ccc2[C@@H]3CCCN[C@@H]3CCc2c1O T31103
Cl.O[C@H](CN1CCOCC1)Cn1oc(c(Cl)c1=O)-c1ccccc1 T31105
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@H]3CNC(=O)C3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C T31106
Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)CO)n2C)cc1 T31107
[2H]C1([2H])Oc2ccc(OC[C@@H]3CNCC[C@H]3c3ccc(F)cc3)cc2O1 T31108
[2H]C([2H])([2H])[C@H](O)C([2H])([2H])CCCn1c(=O)n(C)c2ncn(C)c2c1=O T31109
CCc1cccc(c1)C(C)C T31110
[Cu++].[O-]C(=O)CCCCCCCCC([O-])=O T31111
COc1ccc(cc1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 T31115
Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)CO)CC1 T31116
COc1ccccc1OCC(O)CN1CCNCC1 T31117
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2CO)CC1 T31118
CCNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 T31119
Cc1cccc(CO)c1NC(=O)CN1CCNCC1 T31120
COc1ccccc1OCC(O)CN1CCN(CC(O)=O)CC1 T31121
COc1cccc(c1)-c1ccc2[nH]cc(CC(O)=O)c2c1 T31123
COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1 T31124
[Na+].Cc1cc2c(-c3ccc(C)cc3)c(cnc2s1)C(OC(C)(C)C)C([O-])=O T31125
Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(=O)Nc1c(N)n(-c2ccccc2)c(=O)n(C)c1=O T31126
OC(=O)[C@H]1CSC(=N1)c1nc2ccc(NC3CCC3)cc2s1 T31128
[ClH-].COc1ccc2C[C@@H]3c4cc(O)c(OC)cc4CC[N@+]3(C)Cc2c1O T31129
O=C(Nc1ccccc1)OCC1(COC(=O)Nc2ccccc2)CCCC1 T31130
COc1ccc2c3\C=C4/N(\C=C/C(C)(C)c3[nH]c2c1)C(=O)[C@H](C)NC4=O T31135
FC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F T31136
N[C@@H](CS)C(=O)OC1CCCCC1 T31137
CCOC(C)(C)CCC\C(C)=C\CCC1(C)CC1C(=O)OC(C)C T31138
O=C(C1CCCCC1)C2=CC=CC=C2 T31139
CCC(C)N1CCCC1=O T3114
[Br-].CC[N+]1(C)CCC(C1)OC(=O)C(C1CCCC1)c1ccccc1 T31140
CCC\C(=N\OCC)C1=C(O)CC(CC1=O)C1CCCSC1 T31142
CN1CCC(C)(C)c2cc3nc(sc3cc12)C1=N[C@H](CS1)C(O)=O T31143
CN1CCc2cc3nc(sc3cc12)C1=N[C@H](CS1)C(O)=O T31144
OC(=O)[C@H]1CSC(=N1)c1nc2cc3OCCNc3cc2s1 T31145
OC(=O)[C@H]1CSC(=N1)c1nc2cc3CCCNc3cc2s1 T31146
CCOP(=S)(OCC)N=C1SCCS1 T31148
CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccncc1 T31149
Cc1cc(C)nc(O)n1.[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 T3115
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O T31150
CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 T31151
O=C(NC1CCCCC1)NS(=O)(C2=CC=C(Cl)C=C2)=O T31153
CC[C@H](C)c1nc2c(CCCNC(N)=N)[nH]c(cn2c1=O)-c1c[nH]c2ccccc12 T31154
CCOC(=O)c1cnc2cc(OCC3CC3)c(OCC3CC3)cc2c1O T31155
NNC(=O)[C@@H](N)CS T31156
CC(C)OC(=O)[C@@H](N)CS T31157
N[C@@H](CS(S)S(O)(=O)=O)C(O)=O T31158
CCCNC(=O)SC[C@H](N)C(O)=O T31159
N[C@@H](CS)C(=O)N[C@@H](CS)C(O)=O T31160
NCCCC[C@H](NC(=O)[C@@H](N)CS)C(O)=O T31161
N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T31162
O=P(OP(O)(O)=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O T31163
CN1CC[C@H](CC(=O)N[C@H]2C=C[C@@H](O[C@@H]2C(O)=O)n2ccc(N)nc2=O)N=C1N T31164
O=C(\C=C\c1ccc2OCOc2c1)c1ccccc1 T31166
[Na+].Cc1cc(\N=N\c2c(O)ccc3ccccc23)c(cc1Cl)S([O-])(=O)=O T31167
NC1=NC(N)=C2C(OC(C3=CC=CC(Cl)=C3)C)=CC=CC2=N1 T31168
CN1CCN(CC1)c1c(F)cc2c3c1OCN(C)n3cc(C(O)=O)c2=O T3117
COc1cc(ccc1O)C(CCCN(C)CCc1ccc(OC)c(OC)c1)(C#N)C(C)C T31170
Cl.CC(CN(C(C)C)C(C)C)SC(=O)N1c2ccccc2Sc2cccnc12 T31171
C\C(CO)=C/CC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T31172
CCN(CC)CC(=O)Nc1cccc(OCc2ccccc2)c1 T31174
CN1CCCc2cccc(OCC3CNCCO3)c12 T31175
CN1CCCc2cccc(OC[C@H]3CNCCO3)c12 T31176
CN1CCCc2cccc(OC[C@@H]3CNCCO3)c12 T31177
OP(O)(O)=O.OP(O)(O)=O.CCN(CC)CCNc1ccnc2cc3ccccc3cc12 T31178
CN(C)c1ccc(\C=C2/C=Cc3ccccc23)cc1 T31179
CC1(CC2=C(C(NC(=S)N2)c2cc(ccc2)O)C(=O)C1)C T3118
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)N1C(=O)CNC1=S T31180
CN(C)CC(=O)N1c2ccccc2Sc2ccccc12 T31181
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)C3)C(=O)c2c1 T31183
[H][C@]12CC[C@](C)(O1)[C@@H](CC[C@](C)(O)C=C)[C@]2(C)CCC(Br)C(C)(C)Cl T31186
CC(C)C[C@](CC(O)=O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O T31188
C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1 T3119
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@]34C[C@@H]5C[C@@H](O[C@](C)(O5)O3)[C@]4(C=O)[C@H]1[C@H](O)C2=O)c1ccc(=O)oc1 T31192
C[C@@H](N)C(=O)N[C@@H](C)C(O)=O T31193
CC(Cl)(Cl)C(O)=O T31194
CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 T31195
Cc1ccc(cc1)S(O)(=O)=O.CNCCCC1(C)CN(c2ccccc12)c1ccccc1 T31196
Cc1cc2[nH]c(=N)[nH]c(=N)n2n1 T31197
CN1CCC(CC1)=C1c2ccccc2C(O)c2ccccc12 T31198
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccc1 T3120
CSCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(O)=O T31200
CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O T31201
CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCC[C@H]1C(O)=O T31202
FC(F)(F)c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 T31203
COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O T31205
COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 T31206
[Br-].[H][C@@]12CC[C@]([H])(CC(CC(C#N)(c3ccccc3)c3ccccc3)C1)[N+]2(C)C T31207
[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cccc(Cl)c1-c1nnn[nH]1 T31208
O[C@@H]1C([C@H]2[C@@](CC1)(C)[C@H]1CC[C@H]3[C@@](CC[C@@]4([C@@H]3[C@@H](CC4)C(=C)C)CO)([C@@]1(CC2)C)C)(C)C T3121
COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN T31210
O=C1C2=C(O[C@](C)(CC/C=C(C)/CC/C=C(C)/C)[C@H]2C)C3=C(O1)C=C(O)C=C3 T31211
OC(=O)\C=C/C(O)=O.OC(C1=NCCN1)(c1ccc(Cl)cc1)c1ccccn1 T31212
Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O T31213
OC(=O)\C=C\C(O)=O.CCN1CC(CN1CC)NC(=O)c1cc(Cl)c(N)cc1OC T31214
COc1ccc(cc1OC)C(=O)C(C)C(C)C(=O)c1ccc(OC)c(OC)c1 T31216
NC(=O)C(Br)CCC(Br)C(N)=O T31218
COc1ccc(N2CCc3c2c2cccc(C)c2nc3NCCCO)c(C)c1 T31219
Clc1ccc(nn1)N1CC2CCC(C1)N2 T31220
CC(OC(=O)CO)c1cccc2nc3c(cccc3nc12)C(O)=O T31222
Unknown T31223
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)nc1)C(O)=O)C(O)=O T31224
Cc1ccc(cc1)S([O-])(=O)=O.CC[N+](C)(CC)Cc1ccccc1Br T31225
C[C@H](CCC(O)=O)[C@@H]1CCC2C3CCC(=O)NC3=CC[C@@]12C T31227
CCCC(C)(COC(N)=O)COC(=O)NC1CCCCC1 T31228
CC(C(O)=O)c1ccc2c(OCc3ccccc3C2=O)c1 T31229
CC(CCl)CCl.CC(=C)C(Cl)Cl.C\C(CCl)=C/Cl T31230
O=C(O)CCC/C=C1C[C@@]2([H])C[C@@H](O)[C@H](C#C[C@@H](O)CCCCC)[C@@]2([H])C\1 T31232
OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 T31233
Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 T31235
O=C(O)CN(CC(O)=O)CCOCCOCCN(CC(O)=O)CC(O)=O T31236
[Cl-].[Cl-].[Cl-].[Zn++].CCNc1ccc(cc1C)[N+]#N T31237
CC(C)NCC[C@H](c1ccccc1)c1cc(CO)ccc1O T31238
[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C(O)=O T31239
COC(=O)Nc1nc2ccccc2[nH]1 T3124
Cl.COc1ccc(C[C@H]2NC[C@H](O)[C@H]2O)cc1 T31241
[H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)C(N)c1ccccc1)C(O)=O T31242
CC1(C)[C@@H]2C[C@@H](O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O T31243
COc1cc2CC[C@H](N)c3cc(OC)c(=O)ccc3-c2c(OC)c1OC T31244
CC1(C)O[C@@H]2[C@@H](O1)[C@]1(O)[C@@H]([C@@H]3O[C@H]3C1(C)C)[C@](C)(O)[C@@H]1CC[C@@H]3C[C@@]21C[C@@]3(C)O T31245
CC(C)c1cc(O)c(C)cc1OCCN(C)C T31246
CNCCN1c2ccccc2S[C@H]([C@@H](O)C1=O)c1ccc(O)cc1 T31247
Cl.CNCCN1c2ccccc2SC(C(O)C1=O)c1ccc(OC)cc1 T31248
Cl.COC(=O)Nc1nc2ccccc2[nH]1 T3124L
CC[C@H](C)\C=C(/C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(O)C(=O)C2=CO1 T31251
CC[C@H](C)\C=C(/C)\C=C\C1=CC2=C(Cl)C(=O)[C@@](C)(O)C(=O)C2=CO1 T31252
[H][C@@]12C[C@@H](O)[C@H]([C@H](C)[C@H]3NC[C@H](C)C[C@@H]3O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(=O)[C@@H](O)CC[C@]12C T31253
Cl.COc1cc2CC[C@H](N)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC T31255
Cl.CC(C)NCC(O)COc1cc(C)c(O)c(C)c1C T31256
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCN T31257
O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)CC2=C)[C@]11CO1 T31259
[Cl-].CC(C[N+](C)(C)C)OC(N)=O T3126
CC\C(=C(/c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1 T31262
CN(C)CCO.CC(=O)N[C@@H](CCC(O)=O)C(O)=O T31263
CN(C)CCOC(=O)c1ccc(NC(C)=O)cc1 T31264
CN(C)CCO.CC(=O)NCCC[C@H](NC(C)=O)C(O)=O T31265
CN(C)CCO.N[C@@H](CCC(O)=O)C(O)=O T31266
CN(C)CCO.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T31267
CN(C)CCO.OC(=O)[C@@H]1CCC(=O)N1 T31268
Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1 T31269
Cl.NCC(N)=O T3127
CCOC1CCC(CC1)C(=C(/Br)c1ccccc1)\c1ccc(OCC)cc1 T31270
O[C@@H](CC(O)=O)C(O)=O.Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N T31271
OS(O)(=O)=O.NC(=N)N1CCc2ccccc2C1.NC(=N)N1CCc2ccccc2C1 T31272
CC(Br)(CO)[N+]([O-])=O T31273
CCCCCCCC\C=C\C(CC(O)=O)C(O)=O T31274
CCCCCCC(=O)\C=C\C=O T31275
CCCC\C=C/CCCC T31276
C=CCCC\C=C/CC=C T31277
[NH4+].[NH4+].BBBBBBBBBB T31279
BBBBBBBBBBCC T31280
FC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F T31285
OC1CCCC2CCCCC12 T31290
COc1cc2Oc3ccc(CCC(=O)O[C@H]4C[C@@H]5CCCCN5[C@@H](C4)c2cc1OC)cc3 T31292
O=C1CCC(=O)[C@@H]2CCCC[C@@H]12 T31293
OOC12CCCCC1CCCC2 T31294
[Cl-].[Cl-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C T31296
O=C(OCCCCCCCCCCOC(=O)c1ccccc1)c1ccccc1 T31298
CC12C3(C)C4(C)C5(C)C1(C)[Re]23451234C5(C)C1(C)C2(C)C3(C)C45C T31299
C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(CC1)C3=CC1=O)[C@H]2OC(CCc1ccccc1)=O T3130
CCCCCCCC[C@@H](C)O T31300
CCCCC[C@H](O)CCCC T31301
CCCCCCCCCC(OC)OC T31302
CCCCCCCCCC1OCC(C)O1 T31303
CCCCCCCCCC(F)=O T31304
O=C(N)CCCCCCCCCS(=O)(C)=O T31305
CCCCCCCCC(=C)C=O T31306
CCCCCCCCC(=O)C=O T31307
CCCCCCCCCC(N)=O T31308
CCCCCCCCCC(=O)NC T31309
C[C@H]1O[C@H]1P([O-])([O-])=O.[Ca+2] T3131
CCCCCCCCCC(=O)N(C)N=O T31310
CCCCCCCCCC(=O)Nc1ccccc1 T31311
C(CCCCCCCCC)(=N)N.Cl T31312
CCCCCCCCCCOCC(OC)OC T31313
CCCCCCCCCCOC=C T31314
CCS(=O)CCCCCCCCCCS(=O)CC T31315
CS(=O)CCCCCCCCCCS(C)=O T31316
FCCCCCCCCCCF T31317
C(CCC[C@@H]1CO1)CC[C@H]1CO1 T31318
FCCCCCCCCCCBr T31319
O=C1\C(CCC\C1=C/c1ccncc1)=C\c1ccncc1 T3132
FCCCCCCCCCCCl T31320
CCCCCCCCCCOC T31321
CCCCCCC[C@@H](C)C(C)(C)C T31322
CCCCCCC(C)CC(C)C T31323
CCCC[C@@H](C)[C@@H](C)CCC(C)C T31324
CCCCCCCC[C@@H](C)Br T31325
CCCCCCCCC(C)C T31326
CCCCCCC[C@@H](C)CC T31327
CCCCC(C)CC(C)CCC T31328
CCCCCC[C@H](C)CCC T31329
COc1cc2CC(C)(C)n3c(cc4nc5ccccc5nc34)-c2cc1OC T3133
CCCCC[C@@H](C)CCCC T31330
C[C@H](Br)CCC[C@H](Cl)[C@H](Br)C[C@H](Br)CCl T31331
CCCCCCCC(C)C(C)C T31332
OCC(O)CCCCCCC(O)CO T31333
CCCCCCC(=O)CC(C)=O T31334
CCCCC(O)C(O)CCCC T31335
CCOC(=O)CCCCCCCCC(O)=O T31336
O=C(O)CCCCCCCCC(O)=O T31337
CCCCCCCCCC(=O)OOC(C)(C)C T31338
CCCCCCCCCC(=O)OCC1CCCC1 T31339
Oc1ccc(\C=C2/SC(=N)NC2=O)cc1 T3134
CCCCCCCCC(CC)C(O)=O T31340
CCCCCCCC[C@@H](C)C(O)=O T31341
CCCCCCCCC(CCCCCCCC)C(O)=O T31342
CC(=O)CCCCCCCC(O)=O T31343
[Ba++].CCCCCCCCCC([O-])=O.CCCCCCCCCC([O-])=O T31345
CCCCCCCCCC(=O)NN T31346
CCCCCCCCCCO T31347
OCCCCCCCCCCF T31348
FCCCCCCCCCC(=O)c1ccccc1 T31349
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 T3135
CCCCCCCCCC(=O)Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1 T31350
CCCCCCCCCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C T31351
[H][C@@]12N=C(N)N[C@]11N(CCC1(O)O)C(N)=N[C@H]2CO T31352
CC(CCC=C(C)C)C\C=C1/CCCC1=O T31353
CCCCCCCCCCOc1c(OC)cc(cc1OC)C(N)=O T31354
CCCCCCCCCCBr T31355
CCCCCCCCCCSC#N T31356
CCCCCCCCCCc1ccccc1 T31357
CCCCCCCCCCS(O)(=O)=O T31358
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)(C3=C)[C@]2(CO)[C@H](O)C1=O T31360
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)NCC)c34 T31361
COCCOCCOCCOc1cccc(C2=N[C@](C)(CS2)C(O)=O)c1O T31362
[OH-].[Mg++].COCCOCCOCCOc1cccc(C2=NC(C)(CS2)C([O-])=O)c1O T31363
C[C@H]1\C=C\C\C(C)=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\c1csc(C)n1 T31364
CO[C@@H](C)[C@@](O)(C(=O)OCc1ccn2CC[C@H](OC(=O)C(\C)=C\C)c12)C(C)(C)O T31365
N[C@@H](CCCC\N=C\CCC[C@H](N)C(O)=O)C(O)=O T31366
O=C(OC1)[C@@](O)(CO)[C@H](C)C/C(C(O[C@@H]2CCn3ccc1C32)=O)=C/C T31367
CC(C)COCN(C(=O)CCl)c1c(C)cccc1C T31368
C=CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C T3137
COC(=O)\C=C\C\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(O)COc1cccc(Cl)c1 T31372
Cl.O[C@H]1CC[C@@H](CC1)NCc1cc(Br)cc(Br)c1O T31373
C\N=C\Nc1ccc(Cl)cc1C T31374
CNCC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 T31375
CNCCOc1cc(C)c(O)cc1C(C)C T31376
C[C@H](c1ncc[nH]1)c1cccc(C)c1C T31377
NCCCCNCCCC[C@H](N)C(O)=O T31380
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1C[C@@H](O)[C@@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)C=C12)c1ccoc1 T31381
NC(CCCCNC(CCc1cncc(O)c1CC(N)C(O)=O)C(O)=O)C(O)=O T31382
CNCC(O)c1ccc(O)c(O)c1 T31383
C[C@H](c1ccccc1)n1cncc1C(O)=O T31385
Cl.COc1ccc(OC)c(c1)C(O)CN T31388
COc1ccc(OC)c(c1)C(O)CN T31388L
OC1=CC=C(N(C)C2=C3C(OC=C3C)=NC=N2)C=C1 T31389
CNc1nc(NC(C)C)nc(SC)n1 T31390
[2H]C([2H])([2H])Oc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C([2H])([2H])[2H])c2c1 T31394
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)CC(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T31395
OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1 T31396
C1CN2C(CNC2=N1)c1ccccc1 T31399
CN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C T31400
Cl.[H][C@]12CC[C@]([H])(C1)[C@](C)(NC)C2(C)C T31401
O[C@H](CNC[C@H]([C@@H]1CCC2=CC(F)=CC=C2O1)O)[C@H]3CCC4=CC(F)=CC=C4O3 T31402
Cl.C1OC(O[C@H]1[C@@H]1CCCCN1)(c1ccccc1)c1ccccc1 T31403
O1[C@@H]([C@@H](O)[C@@H]([C@H](O)[C@H]1O*)O)CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)OCC(CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O*)O)O)O)CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C*)O)CO[C@H]1O[C@H](C*)[C@@H](O)[C@@H](O)[C@H]1O T31404
Cl.C[C@H](N)Cc1ccccc1 T31405L2
Nc1cc2[nH]cnc2c(=O)[nH]1 T31406
Br.[H][C@@]12Cc3ccc(O)cc3[C@@](C)(CCCCC1)[C@@H]2N T31407
CC1=N\C(=C/c2cc(F)c(O)c(F)c2)C(=O)N1CC(F)(F)F T31408
CN1C(\C=N\O)=N/C(=C/c2cc(F)c(O)c(F)c2)/C1=O T31409
NCCCC[C@H](N)C(O)=O.OC(=O)COc1nn(Cc2ccccc2)c2ccccc12 T3141
N[C@H](Cc1ccc(OC[18F])cc1)C(O)=O T31410
O=C(/N=N/C(OC(CCOCC#C)(C)C)=O)OC(C)(C)C T31413
[H][C@@]12Cc3cc(OC(C)=O)c(OC)cc3-c3c(OC)c(OC(C)=O)cc(CCN1C)c23 T31414
CCCCCOC(=O)\C=C/C(=O)OCCCCC T31418
CNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)NC T31419
Nc1cccc2c1c(=O)[nH][nH]c2=O.N[C@@H](Cc1ccc(O)c(N)c1)C(O)=O T31423
c1ccc2c(c1)ccc1cc3c(ccc4ccccc34)cc21 T31425
Oc1ccc(Br)cc1C(=O)C(=O)c1cc(Br)ccc1O T31427
CCCCOCC(O)COCCCC T31428
CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC T31429
Nc1ccc(cc1OCCCC(O)=O)-c1ccc(N)c(OCCCC(O)=O)c1 T31432
Clc1cccc(Cl)c1C#N T31433
ClC(Cl)=CC=C T31434
Cl.CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 T31435
[Co++].[Co++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O T31437
CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCC T31438
COc1cccc(c1)-c1cc(NCc2ccc3OCOc3c2)nc(N)n1 T3144
CCCCCCCCCCCCc1ccccc1CCCCCCCCCCCC T31440
NC(=O)CC1(O)C=C(Br)C(=O)C(Br)=C1 T31441
CCC1(CC)COC(=O)NC1=O T31442
Cl.CCN(CC)CCN1c2ccccc2Sc2ccccc12 T31443
CCOP(=O)(CCCCBr)OCC T31444
CCOC(=O)\N=N\C(=O)OCC T31445
CCOC(=O)C(CC)(CCC(C)C)C(=O)OCC T31446
CCOC(=O)\C=C\c1ccc(\C=C\C(=O)OCC)cc1 T31447
N=O.CCNCC T31448
OCCOCCOC(=O)c1ccccc1 T31449
[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO.O.O T3145
CCC(=O)Oc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OC(=O)CC)cc1 T31450
Cl.CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1 T31452
CC(N(C)C)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 T31454
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1ccccn1 T31456
CC(C(O)c1ccccc1)N(C)CCOC(c1ccccc1)c1ccccc1 T31457
Cc1cc(=O)oc2c(F)c(OP(O)(O)=O)c(F)cc12 T31458
OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 T31459
COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O T3146
CCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC T31460
[H][C@@]12CCC(=C)[C@H](CCC(C)CC(O)=O)[C@@]1(C)CCC[C@]2(C)C(O)=O T31462
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T31463
CC12CCCC3(CN(CCO)C1)[C@@H]2C[C@@H](O)[C@@]12CC[C@@H](C[C@@H]31)C(=C)[C@H]2O T31464
NC1N=C(N)Nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc12 T31465
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)C T31466
N.SC(=S)N1CCCC1 T3147
C[C@H]1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O T31471
CCCCCCC1(C)CCC(=O)O1 T31472
OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 T31473
[H][C@@]12C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)[C@@H](O)[C@@]13C[C@@H](CC[C@@]1([H])[C@@]2(C)O)[C@](C)(O)C3 T31474
C[C@H](CO)CCNc1[nH]cnc2ncnc12 T31476
CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C T31478
CC(C)OC(=O)SSC(=O)OC(C)C T31479
CC(C)c1ccc2ccccc2c1C(C)C T31480
CN(C(=O)C(Cl)Cl)c1ccc(O)cc1 T31482
CN(C)C(=O)Nc1ccc(c(Cl)c1)-n1nc(oc1=O)C(C)(C)C T31484
CCC(C(CC)c1ccc(OC)cc1)c1ccc(OC)cc1 T31485
COCCN(C(=O)CCl)c1c(C)cccc1C T31486
NA T31487
CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 T31488
CC1CC(OC(C)=O)OC(C)O1 T31489
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 T3149
CC(N[C@H](C(OC)=O)CSSC[C@H](NC(C)=O)C(OC)=O)=O T31490
COC(=O)c1ccc(cc1)C(=O)OC T31491
CCCCCCCCCCCC(=O)NCCCN(C)C T31492
CC(CCC(C)OS(C)(=O)=O)OS(C)(=O)=O T31495
CCOc1ccc(Cc2nc(C)cc3cc(OC)c(OC)cc23)cc1OC T31496
CC(C)(C)COC(=O)CC[C@H](N)C(=O)OCC(C)(C)C T31497
Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C1CCCCC1 T31498
OCCCCN(CCN(CCCCO)N=O)N=O T31499
CC(C)C(\C)=C\C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C T3150
CCC(C)c1cc(cc(c1OC(=O)OC(C)C)[N+]([O-])=O)[N+]([O-])=O T31501
CO[NH3+].CCCCC[C@@H](O)\C=C\[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC([O-])=O T31503
Cl.CC(C)NC[C@@H](O)c1ccc(cc1)[N+]([O-])=O T31505
Cc1ccccc1OC(=O)Oc1ccccc1C T31509
CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C T3151
CCNC(C)C(O)c1ccc(O)c(O)c1 T31510
OP(O)([O-])=O.CCOc1ccc(Cc2[nH+]c(C)cc3cc(OC)c(OC)cc23)cc1OC T31511
CCCCCOC(=O)C(=O)OCCCCC T31514
CCCCCOC(=O)CCCCCCCCC(=O)OCCCCC T31515
Cl.CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 T31516
[Na+].[O-][N+](=O)c1cc(c([N-]c2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O)[N+]([O-])=O T31517
CC(OC(=O)CC[C@H](N)C(=O)OC(C)C(C)(C)C)C(C)(C)C T31518
Cl.CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1 T31519
Cc1nccc2c3ccc(O)cc3[nH]c12 T3152
[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCCC(C)(C)C5CC[C@@]34C)[C@@]1(C)CC[C@@H]2C(C)(C)O T31520
CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(O)=O T31521
CCCS(=O)(=O)CCC T31522
Oc1ccc(cc1)-c1oc2cc(O)cc3C(=O)c4c(O)cc(O)cc4-c1c23 T31523
OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N1CCCCC1 T31525
CC(C\N=C\c1ccccc1O)\N=C\c1ccccc1O T31527
[Na+].[Na+].[O-]C(=O)CCCCCCCCC([O-])=O T31528
[H][C@]12C[C@]1(CC(=O)[C@H]2C)C(C)C T31529
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1 T3153
Cc1cc(CCCCCCCOc2ccc(cc2)C2=NCCO2)on1 T31530
CCCCCCCCCC[C@H]1O[C@H]1CCCCC(C)C T31531
CCN(CCO)c1ccc(cc1)\N=N\c1ccc(cc1)[N+]([O-])=O T31532
CC(C)(C)OOC(=O)c1ccccc1C(=O)OOC(C)(C)C T31534
Oc1ccccc1C(S)=S T31535
OC1=CC=C(C2=NC(NC3=CC=C(Br)C(Cl)=C3)=CN=C2)C=C1 T31537
C=CC(=O)C=C T31538
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NCCN1CCCC1)C(C)(C)CCC2(C)C T31539
CC(C)=CCC\C(C)=C\C=O T3154
CCN(CC)CCNC(=O)c1ccc(cc1)C(=C)c1cc2c(cc1C)C(C)(C)CCC2(C)C T31540
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O T31541
CCCC(NCC)C(=O)c1ccc(OC)c(OC)c1 T31542
O=C(CCN1CCCCC1)Nc1ccc2c(c1)nc1\C(CCn1c2=O)=C\c1ccccc1 T31543
O=C(NC1=CC=C(F)C=C1)C2=CC=CC(NS(=O)(C3=CC(Br)=C(Cl)S3)=O)=C2 T31544
CC(C)(C)c1ccc(cc1)-c1ccc(OCC(=O)Nc2cccc(c2)C(O)=O)cc1 T31545
O=C1CC2OCC3CCCCCNCC(=O)\C=C/n4ccc(CNC(=O)CC[C@@]23C=C1)c4 T31547
O=C1CC2OCC3CCCCCNCC(=O)\C=N\C4=CC(CNC(=O)CC[C@@]23C=C1)C=C4 T31548
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(C)C)c34 T31549
Brc1ccc2ncnc(NCC=C)c2c1 T3155
O=C1[C@@H](CN(C)C)[C@@](CC/C(C)=C/CC[C@]2(C)[C@@]3([H])C2)([H])[C@]3([H])O1.O=C(O)/C=C/C(O)=O T31550
COc1cc(C(CN(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)c(cc1OC)[N+]([O-])=O T31552
NA T31554
[NH4+].Cc1cc(cc(c1[O-])[N+]([O-])=O)[N+]([O-])=O T31556
CN(C)c1ccc2cc(ccc2c1)S(=O)(=O)C=C T31557
Cl.CCC(N)CCc1ccc(OC)cc1 T31559
OC1=N\C(Nc2ccccc12)=C(/C#N)C(=O)c1ccc(Cl)cc1Cl T3156
CCCCCCCCCCCCOC(=O)CCCCCCCCC T31561
CCC1c2ccc3cc(OC)ccc3c2CCC1(C)C(O)=O T31562
CCCC(=O)O[C@@]1(CCC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C)C(C)=O T31563
NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(=O)Cc1ccc(O)c(O)c1 T31564
O=C1NC(C(N(CCCl)CCCl)=C(C)N1)=O T31565
OC[C@@H](O)[C@H](CO)OCn1ccnc1[N+]([O-])=O T31566
Oc1ccc(cc1O)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(O)c(O)c1 T3157
O=C1[C@H](CC2=CC=C(O)C(O)=C2)[NH2]B(C3=CC=CC=C3)(C4=CC=CC=C4)O1 T31570
Cc1cnc(O)c(C)n1 T31572
OCCN(CCO)CCO.COc1nc(=O)n(-c2ccc(Cl)cc2)c(=O)[nH]1 T31573
CCc1cc(OC(=O)NC)c(Cl)c(C)c1Cl T31574
CC1CCC2C(C)(C)CCCC2(C)C1C T31575
N\C=C1/Cc2ccccc2C1=O T31576
C[C@H](CC1CCCCC1)NCCC(c1ccccc1)c1ccccc1 T31577
Cl.Cc1cccc(C)c1NC(=O)C1CCCCN1CCO T31579
Cc1nccc2c3ccccc3[nH]c12 T3158
NA T31580
O=C(ON1C(CCC1=O)=O)C([2H])([2H])CC([2H])([2H])C(ON2C(CCC2=O)=O)=O T31581
CCN(CCCl)Cc1ccccc1Br T31582
O=C(ON1C(CCC1=O)=O)C([2H])([2H])CCCCC([2H])([2H])C(ON2C(CCC2=O)=O)=O T31583
OC(C(O)C(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O T31584
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)ccc2O1 T31585
Cl.CO[Si](CCCNCCNCc1ccccc1)(OC)OC T31588
C\C(=C/C(=O)c1ccccc1)c1ccccc1 T31589
CC(C)c1ccc(C)c2ccc(C)c2c1 T3159
CC1(N)CN(C1)c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 T31590
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC T31591
CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 T31592
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 T31593
CC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(O)=O T31594
CCNC(=S)NC12CC3CC(CC(C3)C1)C2 T31595
CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1cccc(c1)C(O)=O T31596
CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1 T31597
CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 T31598
[H][C@]12C=C[C@@]3(O)C(=O)O[C@@]1([H])OC(=C[C@@]23[H])C(N)=O T31599
Cc1nn(c(O)c1Cc1ccccc1)-c1nc2ccc(C)cc2[nH]1 T3160
[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C T31600
OC(=O)\C=C/C(O)=O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(Cl)c(Cl)c1 T31601
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21 T31602
COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@@H]1CNCCO1 T31604
[Na+].[Na+].CC(=O)C1CCC2C3CCC4=C\C(CCC4(C)C3CCC12C)=N\OCOP([O-])([O-])=O T31608
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(O)=O T31609
CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O T31613
Nc1cnc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl T31614
C[C@@H](N)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O T31616
CCCCc1cc(cc(=O)n1Cc1ccc(cc1F)-c1ccccc1-c1nnn[nH]1)C(=O)OC T31619
OC(=O)CCCCCC(=O)N\N=C\c1ccccc1C(O)=O T3162
CCC(C)(CC)OC(N)=O T31620
Cl.CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12 T31621
OP(O)(O)=O.Cc1nc(NCCCCCCc2ccccc2)nc(C)c1O T31622
Cl.COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCCN1C T31623
[H][C@]12C[C@]([H])(C=C1)[C@@H]([C@H]2C(=O)N(CC)CC)C(=O)N(CC)CC T31625
[Na+].O=C1[N-]C(=O)C(Cc2ccc3O[C@@H](Cc4ccccc4)CCc3c2)S1 T31627
[I-].C[n+]1ccc(cc1)C(=O)NCc1ccccc1 T31628
OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1 T3163
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(O)=O T31634
[H][C@@]12CC[C@@H]3[C@@H](O)[C@]1([C@H](O)C3=C)[C@@]1(O)OC[C@]22[C@@H](O)CCC(C)(C)[C@@]2([H])[C@@H]1O T31637
O=C(NC1CCCCC1)OC(C#C)(c1ccccc1)c1ccccc1 T31639
C(Nc1nc(nc2CCCCc12)N1CCOc2ccccc12)c1ccccc1 T3164
COP(=O)(OC)Oc1ccc(cc1)S(N)(=O)=O T31641
COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)NC(C)C T31642
CP(=S)(OCCCCCl)Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O T31643
CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)C(=N\O)\c1ccccc1 T31644
Cc1ccccc1C(=O)c1ccc(Nc2ccc(F)cc2C)cc1Cl T31645
[H][C@@]12CC[C@@]([H])(C=C1)[C@@H](\C=N\OC(c1ccccc1)c1ccccc1)[C@@H]2C\C=C/CCCC(O)=O T31646
CC(C)Cn1cnc2c(N)nc3cccnc3c12 T31648
C\C=C\C=C\C=C\C(=O)\C=C(/O)C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@@]2(C)OC1=O T31652
[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C T31653
[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C T31653L
[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)C=C[C@]12C T31654
CNC[C@H](O)c1ccc2OB(O)Oc2c1 T31655
[H][C@]12CC(S\C=C\NC(C)=O)=C(N1C(=O)[C@H]2[C@H](C)OS(O)(=O)=O)C(O)=O T31656
C[C@@]12CC[C@@H]3[C@@H](OC(=O)C3=C)[C@H]3O[C@]3(C)CC[C@H]1O2 T31658
Nc1nc2n(C[C@]3(CO)C[C@H]3CO)cnc2c(=O)[nH]1 T31659
N[C@@H](CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O T31660
O=C(C1=NOC(C2CC2)=C1)NC3C[C@@](N4S(=O)(C5CCC(N)CC5)=O)([H])CC[C@@]4([H])C3 T31662
OC(=O)\C=C/C(O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)NC1CCCCCC1)c34 T31663
OC(=O)\C=C/C(O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)NC1CC1)c34 T31664
[H][C@@]12Cc3cn(C)c4cccc(C1=C[C@H](CN2C)C(O)=O)c34 T31665
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N(CC)CC T31666
CO[C@@H]1C[C@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O T31668
Cl.NNc1ccc(Cl)cc1 T3167
[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O T31671
Nc1ncnc2n(cnc12)[C@@H]1OC[C@@H](O)[C@H]1O T31672
O=C(CN1CCNCC1)NC1CCCCC1 T31675
CN[C@@]1(CCCCC1=O)c1ccccc1Cl T31676
CC(C)(CO)CCCCC(=O)CCCCC(C)(C)CO T31677
OC[C@](C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)n1ccnc1 T31678
CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 T31679
OC(=O)CCC(O)=O.CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 T31679L
CC(C)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 T3168
[H][C@@]12CC[C@H](OC(=O)CCCCCCCCCC)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] T31681
Br.COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)N3CCc2c1 T31682
CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](CC[C@@]4(O)c4ccoc4)C3=CCc2c1 T31683
Cl.CCN(C)C(C)C(O)c1ccccc1 T31684
Cl.CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1 T31685
CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1 T31685L
S=C1SSC2=NCCN12 T31687
CCC(CO)NCCNC(CC)CO T31688
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(CCO)c2cc1C T31689
CCCCCCCCOc1ccc(N)cc1CS(=O)(=O)CCO T31690
CCCCCCCCOc1ccc(CSCCO)cc1N T31691
Nc1ccc(OCCCCCOCCO)cc1 T31692
CCCCCCCCOc1ccc(cc1OC)N(CCO)CCO T31693
OCCN(CCO)c1ccc(OCCCCCc2ccccc2)cc1 T31694
CCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O T31697
Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O T3170
CCSc1nnc(c(=O)n1N)C(C)(C)C T31700
CCOC(=O)c1cncn1C(C)c1ccccc1 T31701
CCCCNC[C@H]1COc2cccc(OCC)c2O1 T31702
CCCCCC(O)CCCC(=O)OCC T31703
CCOC(=O)C(Cc1ccc(O)c2ncccc12)NCC#C T31704
CCOC(=O)CCCCCCCC(C)F T31705
CCOC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O T31706
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O T31707
CCCCCCCCCC(=O)OCC T31708
CCOC(=O)[C@@H](N)CCC(O)=O T31709
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C T3171
Cl.CCOC(=O)[C@@H](N)[C@@H](C)CC T31710
Cl.CCOC(=O)[C@@H](N)CC(C)C T31711
CCOC(=O)[C@@H](N)CC(C)C T31711L
[Li+].CCN(CC)c1ccc(cc1)\N=N\c1ccccc1C([O-])=O T31712
CCN(CC)CCNc1ccc(OCCCCCOc2ccccc2)cc1 T31713
OC(=O)[C@H](CS)NCCN[C@@H](CS)C(O)=O T31714
Cl.CCC[NH](CC)C(CC)C(=O)Nc1c(C)cccc1C T31716
CCCN(CC)C(CC)C(=O)NC1=C(C)C=CC=C1C T31716L
CCOC(=O)NC(=N)NC(=O)Cc1c(Cl)cccc1Cl T31717
[H][C@@]12CC[C@](OC(=O)C(Cl)Cl)(C(=O)OCC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T31719
Brc1ccc(NC(=S)NCCc2ccccn2)nc1 T3172
CCNc1nsc2ccccc12 T31721
CCN1C(Nc2ccc(OCCN3CCCCC3)cc2)c2ccccc2C1=O T31722
OCCCC(=O)NCCO T31724
CCOC(=O)\C=C1\SC(N2CCCCC2)C(=O)N1C T31725
CC(O)=O.CCC(N)Cc1c[nH]c2ccccc12 T31727
CC(C)[C@@H]1CC[C@]2(C)CCC[C@@H](C)[C@@H]2C1 T31728
COc1cc(C)cc2C(=O)c3cc(O)c(O)c(O)c3C(=O)c12 T31729
Cl.Brc1ccc(NC(=S)NCCc2ccccn2)nc1 T3172L
COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 T3173
CO[C@@H]([C@H](C)O)[C@](C)(CC=O)[N+]([O-])=O T31730
COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NC4CC4)c3n2)CC1 T31731
Cl.CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F T31732
OC(=O)[C@H](CC1CCC1)c1cc(Cl)c(OCC(F)(F)F)c(c1)-c1ccc(cc1)C(F)(F)F T31733
CCCCCCOCC(O)COc1ccccc1C(O)=O T31736
[Na+].CCCCCCOCC(O)COc1ccccc1C([O-])=O T31737
O=C(NCCC(N[C@@H](CC1=CNC=N1)C(N[C@@H](CO)C(N[C@@H](CC2=CNC=N2)C(O)=O)=O)=O)=O)C T31738
C=C.CN(C)CCOC(=O)C(C)=C T31739
OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1 T3174
OC(=O)\C=C\C(=O)NCC#C T31740
O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccccc12 T31741
Cl.Clc1ccc(OCC2=NCCc3ccccc23)cc1 T31743
O.Cl.CN(C)CCCn1c2ccccc2c2ccccc2c1=O T31745
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C T31746
COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 T31748
Cc1nc2ccc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 T3175
CN(C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1 T31750
O=C(O)CCC/C=C1C[C@@]2([H])C[C@@H](O)[C@H](C#C[C@@H](O)CCCCC)[C@@]2([H])C\1 T31751
Cc1ccccc1\N=N\c1c(N)ccc2ccccc12 T31752
N[C@H](Cc1ccc(Cl)cc1)C(=O)N(CCCNC(N)=N)[C@@H](Cc1cccc2ccccc12)C(N)=O T31755
CCCCC1(COC(=O)c2ccc(Cl)cc2)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T31757
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(Cl)cc1)C(=O)OC)N2CC[18F] T31758
NC(CO)(CO)CO.OC(=O)Cc1ccc(cc1)-c1ccccc1 T31759
COc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C T3176
CC(C)(CCO)SC[C@H](N)C(O)=O T31760
CNC(=O)C(=N\OC)\c1ccccc1CO\N=C(/C)\C=C\c1c(Cl)cccc1Cl T31763
Nc1nnnn1-c1ccccc1 T31764
CC1(C)C2CCC(C)(C2)C1=O T31766
CC(=O)OC1C2(C)CCC(C2)C1(C)C T31767
CC[C@@H]1[C@H](C)[C@H](CC=C1c1ccccc1)C(O)=O T31768
CCC1C(=O)NC(=O)C1(C)c1ccccc1 T31770
CC(C)(Oc1ccc(cc1)C(O)c1ccc(Cl)cc1)C(O)=O T31771
COP(=O)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O T31772
COc1ccc(OC)c(c1)C(=C/c1ccc(O)c(OC)c1)\C(=O)NCCc1ccc(O)cc1 T31773
COC(=O)CCC=C=CCC1C(O)CC(O)C1\C=C\C(O)COc1ccccc1 T31776
CCN(CC)CCCOc1ccc(CCc2ccccc2)cc1 T31777
CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1 T31779
CCOP(=S)(OCC)Oc1ccc(SC)c(C)c1 T31780
CCN(C1CCCCC1)C(=O)n1nnn(-c2ccccc2Cl)c1=O T31782
Cl.OC(CNc1ncccn1)c1ccccc1 T31783
[Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O T31784
COc1cc(\C=C\C(=O)O[C@H]2[C@H](OC[C@H](O)[C@H](O)[C@@H](O)C=O)O[C@@H](CO)[C@@H]2O)ccc1O T31785
O=[Fe]O[Fe]O[Fe]=O T31786
N[C@@H](Cc1ccc(OCC[18F])cc1)C(O)=O T31787
[H][C@@]12CC=C(C)[C@H](COc3ccc4ccc(=O)oc4c3)[C@@]1(C)CC[C@H](O)C2(C)C T31788
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccn2)c1=O T3179
Cl.Cl.NCCc1cc(=O)oc2cc(N)ccc12 T31790
O=C1C2=C(C=CC(CCN)=C2)NC3=CC=CC(F)=C13.[H]Cl T31791
COc1ccc(cc1OC1CCCC1)C(\C)=N/OC(N)=O T31792
CC\C(=C/C(=N\O)/C(N)=O)C(C)[N+]([O-])=O T31796
CCc1ccc2c3[nH]c4ccccc4c3cc[n+]2c1 T31799
OC(=O)c1cnn(c1)-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 T3180
O[N+]([O-])=O.Cc1ccc2nc3cc(N)ccc3c(-c3ccc(N)cc3)c2c1 T31800
CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])nc2)cc1 T31801
N[C@@H](C[C@H](CCCF)C(O)=O)C(O)=O T31802
N[C@@H](C[C@H](CCC[18F])C(O)=O)C(O)=O T31803
OCC(CF)n1cc(Cn2ccnc2[N+]([O-])=O)nn1 T31804
Cn1cc(S(C)=O)c(=O)c2ccc(F)cc12 T31805
CCC[C@@H](B(O)O)N(C(=O)[C@H](N)Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 T31806
COc1cc(OC)cc(OCCO)c1 T31807
CC(C)OC(=O)c1cc(-c2nn(C)c(c2Br)C(F)(F)F)c(F)cc1Cl T31809
CCC(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccccc1OC T3181
FC(F)(F)\N=C1\S\C(=N/c2ccccc2)N(\C\1=N/C(F)(F)F)c1ccccc1 T31810
COc1ccc(NC(=O)CC(=O)NC(C)Cc2cccc(c2)C(F)(F)F)cc1 T31811
N[C@@]1(C[C@H](F)C1)C(O)=O T31812
[2H][C@@](N)(CF)C(O)=O T31813
CCC(O)(c1ccccc1)c1cccc(c1)C(F)(F)F T31815
NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1C(F)(F)F T31816
COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)C(F)(F)F T31817
CN(C)C(=O)Nc1cccc(c1)C(F)(F)F T31819
Cl.Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O T3182
FC1(F)N=C(SC1(F)c1ccc(Cl)cc1)c1ccc(Cl)cc1 T31821
N[C@@H](Cc1cc(O)c(O)cc1[18F])C(O)=O T31823
N[C@@H](C[C@@H](F)C(N)=O)C(O)=O T31824
OC(CF)Cn1ccnc1[N+]([O-])=O T31825
[H][C@@]12CC[C@@](OC(C)=O)(C(=O)C(C)O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T31826
CNc1ccc(-c2cc3cc(O)ccc3o2)c(F)n1 T31828
CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 T31829
Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O T3182L
NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 T3183
O[C@@H](CCCN1CCc2c(C1)c1cc(F)ccc1n2-c1ccc(F)cc1)c1ccc(F)cc1 T31830
O=C(N(C)C)/C(C#N)=C/C1=CC=C(C2=NC3=CN=C4N(C)C=CC4=C3N2C5CCCCC5)O1 T31832
CCNC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C T31833
OCCC(=C)C(=O)OCc1ccc(C=O)o1 T31834
[Na+].Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C([O-])=O)cnc2[nH]1 T31836
COC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3[nH]c(N)nc(=O)c3n2)cc1)C(O)=O T31838
Cl.NC(=N)SCCCC#N T3184
O=C(O)CC[C@@H](C([O-])=O)NC(C1=CC=C(N2CN3C4=C(N=C(N)NC4=O)NC[C@]3([H])C2)C=C1)=O.[Ca+2] T31840
O=C(O)CC[C@@H](C([O-])=O)NC(C1=CC=C(N2CN3C4=C(N=C(N)NC4=O)NC[C@@]3([H])C2)C=C1)=O.[Ca+2] T31841
Cl.C(CN1CCOCC1)Cc1ccc(COc2ccccc2)cc1 T31843
CC(CN1c2ccccc2Sc2ccc(cc12)S(=O)(=O)N(C)C)N(C)C T31844
CCCCc1nc(CCCC)n(Cc2ccc(nc2)-c2ccccc2-c2nn[nH]n2)n1 T31845
CCN1C[C@@]2(COC)CC[C@@H](OC)[C@@]34[C@H]5C[C@]6(O)[C@@H](O)[C@H]5[C@@](O)(C[C@H]6OC)[C@@H]([C@@H](O)[C@@H]23)[C@@H]14 T31846
N[C@@H](C1=CC=C(CO)C(O)=C1)C(O)=O T31847
Nc1ccc(OCCCCCNC=O)cc1 T31848
Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(CNC=O)c1 T31849
Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1 T3185
OC(=O)CC[C@H](NC=N)C(O)=O T31851
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1n[nH]c2c1[nH]cnc2=O T31852
CSCC[C@H](NC=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O T31854
CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@@H](CC[C@H]2N)[C@H](C)N)[C@H](O)[C@@H]1N(C)C(=O)CNC(N)=O T31855
COC1C(O)C(N)C(OC2OC(=CCC2N)C(C)N)C(O)C1N(C)C(=O)CN T31856
CC(O)(C(O)=O)P(O)(=O)C(C)(O)C(O)=O T31858
Nc1nc(=O)c2NC3C(Nc2[nH]1)OC1COP(O)(=O)OC1C3(O)O T31859
Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1 T3186
COP(=O)(c1c([nH]c2ccc(Cl)cc12)C(N)=O)c1cc(C)cc(\C=C\C#N)c1 T31860
NC(N)=C([N+]([O-])=O)[N+]([O-])=O T31863
Cl.CCCN[C@H](CCC)Cc1cc2ccccc2o1 T31864
CCCc1c(C(=O)C(C)C)c2ccc(cc2n1Cc1ccccc1Cl)C(N)=O T31868
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 T3187
CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Cl)c(Cl)c3)c2c1 T31873
CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O T31875
CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C T31877
NC(=N)NCCCC(NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O T31878
CSCC[C@H](NC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O T31879
Clc1ccc2c(NCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 T3188
OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(F)c2)ccc1O T31880
Unknown T31881
C(CCc1ccccc1)Cc1cnc[nH]1 T31883
CCOCCCc1cnc[nH]1 T31884
C[C@H](O)[C@@H](O)[C@@H](O)[C@H](N)C=O T31885
C[C@@H]1O[C@H](C=C1)[C@H](N)C(O)=O T31888
Cn1ncc2c1nc(-c1cccc(c1)C(F)(F)F)c1c2[nH]n(-c2ccc(F)cc2)c1=O T3189
CCCCCCCCCC(=O)OCc1ccco1 T31890
Cc1cc(C(=O)c2cc(I)c(O)c(I)c2)c(C)o1 T31891
O\N=C(\C(=N\O)\c1ccco1)/c1ccco1 T31892
CON(C1CCCCC1)C(=O)c1cc(C)oc1C T31893
CC(=O)Nc1nnc(s1)-c1ccc(o1)[N+]([O-])=O T31894
CC(C)C[C@H](NC(=O)CNC(=O)\C=C\c1ccco1)C(N)=O T31895
NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\c1ccco1 T31896
Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 T3190
CC(=O)OCOC(=O)[C@H]1C2[C@@]3(C)[C@@H](O)C=C[C@@]2(CC3=O)C2CC[C@]3(O)C[C@]12CC3=C T31900
NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO T31901
NCC(CC[C@H](N)C(O)=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O T31902
NC(=O)CC[C@H](NCC(O)c1ccc(O)cc1)C(O)=O T31904
NCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O T31905
[H][C@@]12C=C(OC)C(=O)[C@]1([H])C1=C2c2c(CC[C@@H]1NC(C)=O)cc(OC)c(OC)c2OC T31906
CC(C)(C)C[C@H](N)C(O)=O T31907
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC[C@H](O)C(C)(O)CO)[C@@]1(C)CC[C@H](O)C2(C)C T31910
OC[C@H]1O[C@@H](O[C@@H]2COC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O T31916
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 T31917
CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O T31918
Oc1ccc(cc1NC(=O)Nc1cc(ccc1O)C(F)(F)F)C(F)(F)F T3192
OC1=CC=CC(CC(N)C)=C1 T31922
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T31924
CC(C)[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O T31927
C[C@@H](N1CCN([C@@H](C1)c1ccc(Cl)cc1)c1ccc(cc1Cl)C#N)c1ccc(cc1)C#N T31928
Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1 T3193
N[C@@H](CCCCNCCc1c[nH]cn1)C(O)=O T31931
OC(=O)C(O)=O.CCOCCCNC(=S)N1CCN(Cc2ccc3OCOc3c2)CC1 T31932
COc1cccc(c1)-n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccn1 T31933
CC1(C)Oc2c(ccc(O)c2C=C1)-c1cc2ccc(O)cc2o1 T31934
COC1=C(OC)C(=O)[C@@H](C)[C@H](C)C1=O T31935
CC\C(=C(/c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)B(O)O)c1ccccc1 T31936
CCOC(=O)[C@H](CCC(N)=O)N([C@H]1CCCNC1=O)C(=O)CC T31937
OCC(O)C(O)C1OC(=O)C(O)=C1O T31938
[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)CC[C@]1([H])[C@](C)(CCC[C@@]21C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T31939
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCO)c1 T3194
NCC(CC[C@H](N)C(O)=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T31940
[Co++].NC(CCC([O-])=O)C([O-])=O T31941
CCCCC\C=C/C\C=C/CCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O T31942
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O T31943
N[C@@H](CCC(=O)OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O T31945
NCCCCN[C@@H](CCC(N)=O)C(O)=O T31946
Nc1ccc(OCCCCCN2C(=O)CCCC2=O)cc1 T31947
CC(C)C[C@H](NC(=O)CCCC(O)=O)C(O)=O T31948
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(N)=O)C(O)=O T31949
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1 T3195
CC(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O T31950
C[N+](C)(C)CCO.OC[C@@H](O)COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O T31951
CCCCCCCCCC(=O)OC(CO)CO T31952
CCCCCC(O)CCCC(=O)OCC(O)CO T31953
NC(=O)C1CO1 T31954
OC(=O)CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T31955
OC(=O)CNC(=O)c1cccc(I)c1 T31956
NCN(CC(O)=O)C(O)=O T31957
[O--].[Bi+3].OCC(=O)Nc1ccc(cc1)[As](O)([O-])=O T31959
COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1 T31960
Nc1ccc(OCCCCCOc2ccc(NC(=O)CO)cc2)cc1 T31961
OCC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T31962
[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T31964
Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 T31966
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(O)=O T31967
Cl.CCOC(=O)c1ccc(NC(=O)CN)cc1 T31968
NCC(=O)NC(=C)C(O)=O T31969
NCC(=O)N1CCC(O)[C@H]1C(=O)N1CCC[C@H]1C(O)=O T31970
NCCCC[C@H](NC(=O)CN)C(O)=O T31971
C[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(O)=O T31972
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(O)=O T31973
NCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(O)=O T31974
NCCCC[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T31975
[Na+].COCCOc1cnc([N-]S(=O)(=O)c2ccccc2)nc1 T31976
[O-][N+](=O)OCC1CO1 T31977
CCCCc1nn2c(nc(CN(CC)c3ccccc3)cc2=O)s1 T31979
O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1 T3198
Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@H]1CO T31980
CCN(Cc1cc(=O)n2c3CCCc3sc2n1)c1ccc(F)cc1 T31981
CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 T31982
CCCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccncc1 T31983
COc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)n3CC=C)sc2c1 T31984
CCCC\C=C\CC\C=C/CCCCCCOC(C)=O T31986
OC1=C(OC)C=CC2=C1[C@@]3([H])N(CC2)CC4=CC(OCO5)=C5C=C4C3 T31988
Clc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 T31989
Cl.O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1 T3198L
CC(C)C(=O)SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1 T3199
[H][C@]12CC3=C4C=C5OCOC5=C[C@@]44CC3=NC=C1C1=C(OCO1)[C@@]([H])(O4)C2C T31991
[H][C@@]12C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C[C@]13C[C@@](C)(O)[C@H](CC[C@@]1([H])C2=C)[C@H]3O T31993
[H][C@@]12C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C[C@]13C[C@@](C)(O)[C@H](CC[C@@]1([H])[C@@]2(C)O)[C@H]3O T31994
NA T31995
Cl.CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2c(C)c1F)C1CC1 T31996
CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)Oc1ccccc1 T31997
CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 T31999
NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 T3200
Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(C)c(c4)S(N)(=O)=O)n3)ccc12 T32000
Cc1cc(OCC(=O)NCc2ccccc2)c2cc(Br)ccc2n1 T32001
CN(c1ccc2c(CO)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 T32002
CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2ccc(CO)c(c2)S(N)(=O)=O)n1 T32003
Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1)-c1cccc(F)c1 T32004
CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1nnc(s1)[C@@](C)(N)CO T32005
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCC(=O)O[Na])CCc2c1C T32006
CN(Cc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1)-c1ccccc1)S(C)(=O)=O T32007
COc1ccc2ncc(C#N)c(CCN3CCC(CC3)NCc3cc4SCOc4cn3)c2c1 T32008
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(OC)c2)c1 T3201
Fc1ccc2ccc(=O)n3C[C@@H](CN4CCC(CC4)NCc4cc5OCCOc5nn4)c1c23 T32011
Clc1ccc2[nH]c3[C@H](CCCc3c2c1)NC(=O)c1ccccn1 T32012
Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1 T32013
COc1ccccc1OC(C)=O T32015
OS(O)(=O)=O.NC(=N)NCc1cccc(CN2CCCCCCC2)c1 T32017
OS(O)(=O)=O.NC(=N)NCCCOc1ccccc1.NC(=N)NCCCOc1ccccc1 T32018
FC(F)=C(F)CCS(=O)(=O)c1ncc(Cl)s1 T3202
NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCNC(N)=N T32020
CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F T32021
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O T32023
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccc(cc12)C(F)(F)F T32024
CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1 T32025
OC(CNC(=O)N(CCCl)N=O)C(O)CN(N=O)C(=O)NCCCl T32026
COc1ccc(CC2CNC(=O)N2)cc1OC1CCCC1 T32027
O=c1cccnn1CCCNC[C@@H]1COc2ccccc2O1 T32029
COC(=O)\C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C T3203
Cl.COc1cccc(OC)c1OCC(C)N(C)CCc1ccc(NS(C)(=O)=O)cc1 T32030
C\N=C1/SCC(C)N1c1c(Cl)cccc1Cl T32031
Cl.Cl.CC(CNc1c(C)cccc1C)N(C)C T32032
Cl.CCC(=O)O[C@@H]1CCN2CC=C([C@@H]1C2)c1ccc(F)cc1 T32033
CC1Cc2cc3OCOc3cc2C(=NN1C(C)=O)c1ccc(N)cc1 T32034
CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3OCOc3cc2C[C@H]1C T32035
O=C(NC[C@H](C(O)=O)N)C(C(O1)=O)=CC2=C1C=C(O)C=C2.Cl T32039
Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1 T3204
COc1c(Cl)ccc(c1F)-c1cc(N)c(Cl)c(n1)C(O)=O T32040
Clc1cc(Cl)c(OCC#CI)cc1Cl T32042
CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]12 T32044
CCC(O)C(OC1CCC(O)C(C)O1)\C=C(/C)\C=C1/C=CC2=NCCC3OC123 T32045
OC1=CC=CC=C1CN(CCN(CC(O)=O)CC2=CC=CC=C2O)CC(O)=O T32046
CC(=O)\C=C\c1ccc(O)c(c1)-c1nc2ccccc2s1 T32047
CC1(C)C(/C=C/CC2=CC=C(O)C=C2)=[N+](CC)C3=C1C=CC=C3.[I-] T32049
CCCCNNC(=O)c1ccc(Br)cc1 T3205
CCC[C@]1(CC(O)=O)OCCc2c1[nH]c1c(C)ccc(C#N)c21 T32050
[H][C@@]12C[C@@H](Br)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C T32051
CCCC(C)OC(N)=O T32052
[Cl-].CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)N(CC)CC T32053
CC(C)c1c(O)c(O)c(C=O)c2c(O)cc(C)cc12 T32056
CCOc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F T32058
C\C(=C/CO)\C=C\C=C(/C)\C=C\C12OC1(C)CCCC2(C)C T32059
Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1 T3206
CCCCCCC1OCC(O)CO1 T32060
COc1cc(N)ccc1OCCCCCCC(=O)c1ccccc1 T32061
COP(=O)(OC)OC1=C(Cl)C2C=CCC12 T32062
CC1(C)C2CCC1(C)\C(C2)=N\OCC#C T32063
CC1(C)SC2C(N3C(=O)C(NC3(C)C)c3ccccc3)C(=O)N2C1C(O)=O T32064
CN1CCN(CC1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 T32065
CCCCC(C)C(=O)Nc1cccc(OC(=O)NC)c1 T32067
CCCCCC(=O)Oc1cccc(C)c1 T32069
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(OP(O)(O)=O)c2)c(OC)c1 T3207
CCCCC(CC)CN1CN2CN(CC(CC)CCCC)CC2(C)C1 T32070
[Br-].C[N+]1(C)CCC(O)C1.OC(=O)C(O)(C1CCCCC1)c1ccccc1 T32071
CCCCCCCCCC(=O)OCCCCCC T32072
CCCCCCOC(=O)C(C)(C)C T32073
[Cl-].[Cl-].O\N=C\c1cccc[n+]1COC[n+]1cccc(c1)C(=O)c1ccccc1 T32074
Nc1nc(=O)c2nc(CCN[C@H]3CC[C@H](CC3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T32075
O=c1c2cc3OCOc3cc2c2cccc3ccn1c23 T32076
Br.[H][C@]12OC(=O)c3cc4OCOc4cc3[C@@]1([H])C1N(C)CCC1=C[C@@H]2O T32077
Cl.CCCCCCCCOc1ccc(N)cc1C(=O)NCC(O)=O T32078
Cl.C(CN1CCCC1)N(Cc1ccccc1)c1ccccc1 T32079
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12 T3208
OC(=O)CCC(=O)C(O)=O.N[C@@H](Cc1c[nH]cn1)C(O)=O T32080
CC(C(N)C(O)=O)n1cnc(C[C@H](N)C(O)=O)c1 T32081
N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC1C(N)=O T32083
COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(OCC(O)CN2CCCCC2)cc1 T32084
Unknown T32085
Unknown T32086
[NH4+].[NH4+].[NH4+].C\C(CO)=C/COP([O-])(=O)OP([O-])([O-])=O T32087
Unknown T32088
Br.Cc1ccc2nc(cn2c1)-c1ccc2OCCOc2c1 T32089
COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(cn34)-c3cnn(C)c3)c(=O)c2c1 T3209
Fc1cccc(Cl)c1CN1CCN(CC1)C(=O)Nc1cc2ccccc2s1 T32090
Cl.CCNc1ccc(cc1)C(=C1C=CC(C=C1)=NCC)c1ccc(NCC)c(C)c1 T32091
[H][C@]12CC[C@]34[C@H](CC[C]3(C)(OC4=O)[C@]1([H])CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C)[C@@](C)(O)CCCC(C)C T32092
[H][C@@]12CC=C3C(=CC[C@@]45C(=O)O[C]34(C)CC[C@]5(O)[C@@](C)(O)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T32095
O[N+]([O-])=O.Cn1cncc1C[C@H](NC(=O)CCCN)C(O)=O T32097
NCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T32098
CC(O)=O.O=C(O)[C@H](CC1=CNC=N1)NC(CCCN)=O T32098L
CC(C)N(C(=O)CSCC[C@H](NC(C)=O)C(O)=O)c1ccccc1 T32099
Nc1nc(=O)c2nc(CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T32100
C[C@](N)(CSSSC[C@](C)(N)C(O)=O)C(O)=O T32101
Oc1ccc(cc1)C(=O)C=O T32102
NA T32103
OCCNC1=NC(N)=NC(C2=CC=C(C(N3CCCC3)C)C=C2)=C1 T32104
CC(C)c1cccc([C@H](C)C2CC2)c1O T32105
CCCN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C T32107
CC(C)n1nc(C(O)c2cccc(Cl)c2Cl)c2c(N)ncnc12 T32108
Cl.OC(c1nc2ccccc2[nH]1)c1ccccc1 T32109
CC(C)(C(N)=O)c1ccccc1 T32110
Cl.COC(=O)CCc1cccc(NCCF)c1 T32111
[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T32114
CCCCCCCCC(C)C(C)CCCCCCCC T32115
OC(=O)C1CC(=O)NC(=O)N1 T32116
CCOC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)C T32117
C[C@@H]1[C@@H](O)[C@H](O)C[C@H](C=O)[C@]11CC[C@H](C1)C(C)=C T32119
[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 T3212
CNCCOCCO T32120
OCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O T32121
CCCCCCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(O)=O T32123
Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 T32125
NCC[C@@H](O)CNCCCC[C@H](N)C(O)=O T32126
Cl.Cl.NCC[C@@H](O)CNCCCC[C@H](N)C(O)=O T32126L
COc1ccc(cc1OC)C1=C(C(=O)OC1)c1ccc2ccccc2c1 T32127
Oc1ccc(CCNCC2CCc3ccccc3C2=O)cc1I T32129
[H][C@]12C[C@@H]([C@H](C)O)[C@]3([H])N(C1)CCc1c([nH]c4ccc(OC)cc14)[C@]3([H])C2 T32131
[Na+].CC(C)Cc1ccc(cc1)C(C)C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O T32132
CCCCC[C@H](O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O T32133
OC(=O)\C=C/C(O)=O.O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 T32134
Cl.COc1ccc2nc3cc(Cl)ccc3c(NCCOCCCl)c2c1 T32135
O=C(N1CC(CCl)C2=C1C=CC3=C2C=CN3)C(N4)=CC5=C4C=C(OC)C=C5 T32136
OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O T32137
O[C@@H]([C@H](O)[C@@H](OS(O)(=O)=O)C=O)[C@@H](O)C(O)=O T32138
CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O T3214
CC1=CC[C@@]2(C)CC[C@@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@]3(C)[C@H]2C1 T32140
NC(=O)N1C(=O)\C(=C(/O)c2cccs2)c2cc(F)c(Cl)cc12 T32141
Cl.Cc1ccccc1CCNC(=N)NC(N)=N T32142
CCC[C@@H](C)C[C@H](N)CC(O)=O T32143
CC(C)C1(C)N=C(NC1=O)c1ncccc1C(O)=O T32144
COC(=O)c1cc2ccccc2nc1C1=NC(C)(C(C)C)C(=O)N1 T32145
[H][C@]12CC[C@@H]([C@@H](C)N3COc4ccc(OC)cc4C3)[C@]1(C)CC[C@@]1([H])[C@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@@]12C T32147
Cl.CCOC(=O)c1c(CS(=O)c2ccccc2)n(C)c2cc(Br)c(O)cc12 T32148
S=C(N/N=C/C1=CC=CC=C1SC(C)(C)C)NC(C)(C)CC T32149
FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cnccc3Cl)cc2O1 T3215
CCCCCCCCCCCCCCN1CCN(CCN2CCN(CC2)C(=O)N(CC)CC)C1=O T32150
Unknown T32151
Cl.CN(CC#C)C1CCc2ccccc12 T32153
CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc12 T32155
Cl.CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc12 T32155L
CN(C)CCOC(=O)c1ccc2n(Cc3ccccc3)c(C)c(C)c2c1 T32157
OC(=O)CC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(O)=O T32158
OC(=O)C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(O)=O T32159
CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1 T3216
CC1(C)C(=O)Nc2ccc(cc12)C1=NNC(=O)CC1 T32160
OS(=O)(=O)Oc1c[nH]c2ccccc12 T32161
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(CC)noc5CC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C T32162
CCCOC1=C(N2CC2)C(=O)C(OCCC)=C(N2CC2)C1=O T32163
CCCCN(CCC(=O)OCC)C(C)=O T32164
C[C@@H](Oc1ccc(Oc2ccc3ccc(Br)cc3n2)cc1)C(O)=O T32165
NC(=N)NCc1cccc([123I])c1 T32166
CC(O)=O.CC(O)=O.Cc1cccc(c1)[I]=O T32169
OC(=O)C(Cc1cc(I)c(O)c(I)c1)c1ccccc1 T32171
[I-].C[N+](C)(C)CCI T32172
CCOc1ccc2nc3c([125I])c(N)ccc3c(N)c2c1 T32175
CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O T3218
CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1 T32180
OCC(O)Cn1cc(I)c(=O)c(I)c1 T32181
O=C1C(I)=CNC=C1I T32182
Oc1c(I)cc(cc1I)C#N T32186
CC(C)[NH2+][Pt--](O)(O)(Cl)(Cl)[NH2+]C(C)C T32189
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1 T3219
Cl.CC(C)OC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C T32190
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 T32191
[Fe+3].OCC(O)C(O)C(O)C(O)CO.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O T32193
Cc1nc2cc(ccc2[nH]1)C(c1ccccc1)n1ccnc1 T32194
[H][C@]12OC(=O)\C(C[C@@H](C)[C@](O)(CO)C(=O)OCC3=CCN(CC1=O)[C@@]23[H])=C/C T32198
CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(O)=O T32199
COc1cc(C)c(\C=C\C(\C)=C\C=C\C(\C)=C/C(O)=O)c(C)c1C T32201
CC(C)CCOC(=O)c1ccccc1O T32202
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2[C@H]1C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4 T32203
Cl.CC(C)CNC(C)(C)COC(=O)c1ccccc1 T32204
FS(=O)(=O)c1cccc(c1)N=C=O T32205
N[C@@H](Cc1ccc(Oc2cc(CC(N)C(O)=O)ccc2O)cc1)C(O)=O T32206
COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 T32208
O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O T32209
Fc1ccc(COc2ccc(CC#N)cc2)cc1 T3221
CCC(C)C(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O T32211
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)[C@@H](C)CC T32212
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(O)=O T32213
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O T32214
[H][C@]12CCN3CC=C(COC(=O)[C@@](C)(OC(C)=O)[C@H](C)C[C@](O)(CC)C(=O)O1)[C@]23[H] T32215
[H][C@@]12CC[C@@H]3C[C@]1(C=C3C)[C@@H](O)C[C@]1([H])[C@@](C)(COC(C)=O)[C@H](O)CC[C@@]21C T32216
CC(=O)c1occc1O T32217
Cl.COc1cc(ccc1-c1nc2cnccc2[nH]1)S(C)=O T32218
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C T3222
C/C=C/C1=CC(OC)=C2OCOC2=C1 T32220
C\C(=N/NC(=O)c1ccncc1)C(O)=O T32221
Cl.FC(F)Oc1cccc(NC(=O)c2ccncc2)c1 T32222
Nc1ccc(OCCCCCNC(=O)c2ccncc2)cc1 T32223
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C T32224
CC(C)OC(=O)c1ccccc1 T32225
[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)Cn1c2ccc(C)c(C)c2nc2c(O)nc(=O)nc12 T32229
CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C T3223
OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T32230
CCN1CCCC1CC(=O)Nc1cc(ccc1OC)S(N)(=O)=O T32231
COP(=S)(OC)SCCSC(C)C T32232
CC(CN1c2ccccc2Sc2cccnc12)N(C)C T32233
I.NC(=N)SCCCCCCCCCC=C T32234
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5cccc(OC)c45)C3CC12 T32236
CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1 T32237
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1cccnc1C)C(O)=O T32238
COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C T3224
Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(=O)[nH]1 T32242
COc1ccc(Cc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc1 T32243
CCOc1cc2OCOc2cc1C(C)c1ccc(OC)cc1 T32244
C[C@@H](CC(O)=O)CC(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)\C=C\c1ccc2ccccc2c1 T32245
[H][C@@]12CC\C(=C/Cl)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)CC[C@]12C T32247
COc1ccc(cc1)S(=O)(=O)N1CCc2cccc(NC(=O)c3ccncc3)c12 T32248
Oc1cccc2C(=O)C(Nc3ccc(F)cc3Br)=C(Cl)C(=O)c12 T32249
CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C T3225
Cl.[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C[C@](O)([C@@H](C)Cl)C(=O)O1)[C@]23[H] T32251
[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)C(=C)C[C@@]4(O[C@H]4C)C(=O)O1)[C@]23[H] T32252
CCCCCC(O)CCCCCCCCCC(O)=O T32253
[H][C@@]12C[C@]3([C@H](CC[C@@]3([H])[C@]1(C)CO)C=O)[C@@H](O)C=C2C(O)=O T32254
CN(C1=CC=C(/N=N/C2=CC3=[N+](C4=CC=CC=C4)C5=C(C=CC(N)=C5)N=C3C=C2)C=C1)C.[Cl-] T32256
CN[C@@H](C)C(=O)N[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N1[C@@H](C(C)C)C(=O)C(C)(C)C1=O T32257
CN(C1=CC=C(/N=N/C2=CC3=[N+](C4=CC=CC=C4)C5=C(C=CC(N)=C5)N=C3C=C2)C=C1)C.[Cl-] T32264
[Cl-].Cc1cc(ccc1\N=N\c1cccc(c1)[N+](C)(C)C)\N=N\c1c(O)ccc2ccccc12 T32265
CC\C=C/CC1CCCC(=O)O1 T32266
COC(=O)c1cncc2[C@H](C)NC(=O)Cc12 T32267
COC(C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=O T32268
CC\C=C\CC1=C(C)CCC1=O T32269
O[C@H](Cc1ccc(O)c(O)c1)C(O)=O T3227
CC1=C[C@@H](O)NC1=O T32272
[H][C@]12C[C@@H](C)C=C1\C=C(C)/C(=O)C[C@]1([H])C(C)(C)CC(=O)[C@@]1(C)C2=O T32273
[H][C@@]12CCC3=C4C(C4=C)C(=O)[C@@H](C)CC3=C1C(O)=C(C)C2(C)C T32274
[H][C@]12CC=C(OC)C(=O)[C@]1(C)[C@@]1([H])[C@H](O)[C@@H](OC)[C@@](C)(O)[C@]3([H])C[C@@H](OC)O[C@]([H])(C2)[C@]13C T32275
CN(CCO)Cc1cccnc1 T32276
COc1cc(Br)c(cc1OC)C1CC(=O)CC2CCCCN12 T32277
NC(=N)N(CCCCCCCN1CCCC1)Cc1ccc(Cl)cc1 T32278
OCCS(O)(=O)=O.COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC T32279
O[C@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O T3228
C[N+]1=CC(C(N)=O)=CC=C1OC.O=S(C(F)(F)F)([O-])=O T32280
COc1ccc(cc1)C(c1ccc(cc(=O)c1O)C(C)C)c1ccc(cc(=O)c1O)C(C)C T32283
OC(=O)\C=N\NS(=O)(=O)c1ccccc1 T32284
[H][C@@]12CC(C)(C)[C@@H](O)[C@H](O)[C@]1(CO)[C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C T32287
O=C1C2=C(NC3=C2C=CC(C4=CNN=C4)=C3)C5=C1C=CC(C6=CN(CCCN(C)C)N=C6)=C5 T32288
[11CH3]Oc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 T32289
Oc1cnc2c(O)cccc2c1 T32291
Cc1cccc(C)c1NC1=NCCS1 T32292
[Li+].[Li+].[O-]C(=O)C(Cc1ccccc1)NP([O-])(=S)c1ccccc1 T32293
Cc1nn(cc1SC(F)(F)F)-c1c(Cl)cc(cc1Cl)C(F)(F)F T32294
CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(C)cc12 T32295
Cc1cccc(C)c1[Os](=O)(=O)c1c(C)cccc1C T32296
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O T3230
COCCc1ccc(cn1)-c1c(C)nc2c(ccnn12)N1CCOCC1 T32301
CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(CC1)OC T32302
O[C@H]1[C@H](N2C=C(CC3=CC=C(C4CC4)C=C3)C5=C2C=CC=C5F)O[C@H](CO)[C@@H](O)[C@@H]1O T32305
N#CC1=C(C2=CC=C(OC3=CC(C)=NC=C3)C=C2)C=CN(CCCC)C1=O T32306
Cc1cnc(COc2ccc(cc2)-c2nn(CC[18F])cc2-c2ccncc2)c(C)c1 T32307
NA T32308
C[C@@H]1C[C@H](OC(C)=O)[C@@]23C[C@@]4(CO4)[C@H](C[C@H]2[C@]1(C)[C@@H]1C[C@H]2C=CO[C@@H]2O1)O[C@@H]3OC(C)=O T32309
NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 T3231
[H][C@]12O[C@@]1(C)[C@@]13C[C@H](Br)[C@@](C)(Cl)C[C@]1([H])O[C@](Br)([C@@H]2O)C3(C)C T32310
CCN(Cc1ccc(Cl)cc1C1=C(C([O-])=O)C(=O)CO1)c1ccccc1C T32312
Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(CCCC3)C(O)=O)cc2)c1 T32313
CC1CCCCC1.C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1.C1CC2CC1C1C3C4C5CC3C(C45)C21 T32314
C[O]1C(=O)Nc2cc(C=O)ccc12 T32315
C[C@@]1(CCC(=O)C1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O T32317
Cc1cc(O)c(O)c(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3[C@H](O)C(CO)=C12 T32318
Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1 T3232
CC[C@H](C)C(=O)N[C@H]1CCC(=O)N(CCc2ccccc2)C1=O T32320
O=C1C=C(NCCN2CCOCC2)C(=O)c2ncccc12 T32321
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](N)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2 T32323
COc1cc2c(OC)c3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC T32324
C[C@@]1(CO)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)O[C@@](C)(CC[C@H]21)C=O T32326
COc1ccc(\C=C\CC(C=C(C)C)\C=C(/C)C=C)cc1 T32327
COc1ccc(\C=C\CC(\C=C(/C)C=C)C2OC2(C)C)cc1 T32328
COc1cc2ccnc(Cc3ccc(O)cc3)c2cc1O T32329
OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O T3233
Cl.Cl.Cl.OCCN1CCN(Cc2cccnc2)CC1 T32330
CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 T32331
CCCCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc12 T32334
CCCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc12 T32336
CCCCCn1cc(C(=O)Cc2ccccc2)c2ccccc12 T32337
O=C(C1=C2C=CC=CC2=C(CC)C=C1)C3=CN(CCCCC)C4=C3C=CC=C4 T32338
C[C@@]12CCCC(C)(C)C1=CC(=O)O2 T3234
CCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc12 T32341
CC1(C)C2CC(C=C2)c2[nH]c3ccc(Cl)cc3c12 T32343
CC(C)(C)c1ccc(CC(O)COc2ccc(cc2)C(=O)NCC(O)=O)cc1 T32346
NC(=O)CCC(N1C(=O)C2C3CCC(C3)C2C1=O)C(N)=O T32347
CC\C(Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(=O)OC)=C\C T32348
[H][C@]12CC[C@]([H])(O1)[C@]1([H])C(=O)N(C3CCC(=O)NC3=O)C(=O)[C@]21[H] T32349
OC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1 T32350
OC(=O)CCc1ccc2sc(nc2c1)-c1ccccc1 T32351
Cl.CN(C)CCOC(=O)Nc1c(C)cccc1Cl T32352
C[C@H]1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@@]2(C)[C@@]11Cc2c(O1)c(C(O)=O)c(C=O)cc2O T32353
CCN(C)c1cc(=O)c2c(ccc3ccccc23)o1 T32354
CC1(C)C2CCC(=C)C11C[C@H]3[C@@](C)(O)CC[C@@H](Br)[C@]3(C)C[C@@H]1O2 T32355
OS(=O)(=O)CCCn1cnc2ncncc12 T32356
[H][C@@]12CC[C@@H](O)[C@H](C)[C@@]1(C)CC[C@@H](C)[C@]2(C)COc1ccc2ccc(=O)oc2c1 T32357
O[C@H]1[C@H](O)[C@@H](OC(=O)CC[N+]([O-])=O)[C@H](OC(=O)CC[N+]([O-])=O)O[C@@H]1COC(=O)CC[N+]([O-])=O T32358
O=P(OCC)(O/C(C1=CC=C(Cl)C=C1Cl)=C/Cl)OCC T32359
CC(CCCl)OC(=O)Nc1cccc(Cl)c1 T32360
O=C1NCCCCC1.O=C2NCCCCC2.O=C3NCCCCC3.Cl[Cu]Cl T32363
C[C@H]1CC23C[C@@H]1CC[C@H]2[C@]1(C)C=CCC(C)(C)[C@H]1CC3 T32365
CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)(=O)N(C)C T32366
CC(C)=CCc1c(CCCc2ccc(O)cc2O)cc(O)c(O)c1CC=C(C)C T32367
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)C(N)=O)c1ccc(F)cc1C(F)(F)F T32368
CCCCSCCSP(=O)(OCC)C1CCCCC1 T32369
Clc1cc(Cl)cc(c1)-c1cc(Cl)cc(Cl)c1 T32370
CC(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T32371
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O T32373
CC(=O)OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl T32374
Fc1ccccc1C1=NCC(=O)N(CCNC(=O)CBr)c2ccc(Cl)cc12 T32376
CC(C)=CCC\C(C)=C\CO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O T32377
CC(C)=CC[C@H](CO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)=C T32378
[H][C@]12C[C@@]3([H])CC[C@](C)(OC3(C)C)[C@]1([H])CC[C@H]2C T32380
[H][C@]12C[C@@]3([H])[C@H](C[C@](C)(OC3(C)C)[C@]1([H])[C@@H](C[C@H]2C)OC(C)=O)OC(C)=O T32381
OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 T32384
[H][C@@]12O[C@]1(C)C(=O)c1c([C@@H]2O)c2c(C(=O)c3c(O)cccc3C2=O)n1C#N T32385
CCCC(O)(OCCN(C(C)C)C(C)C)c1ccccc1 T32386
NC(=N)NOCCC(=O)C(O)=O T32387
C\C=C(/C)C(=O)OC\C=C(/C)CCC=C(C)C T3239
Cl[Co]Cl.C[C@H](O)CO.CSCC[C@H](N)C(O)=O T32390
[H][C@]12CCC(C(C)OCCCCC(C)(C)O)[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T32391
Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(=O)N[C@@H]1CCCNC1 T32392
VJYIFXVZLXQVHO-UHFFFAOYSA-N T32393
COc1c2occc2c(O)c2c1oc(C)cc2=O T32394
COc1cc(C=C2C(=O)C=CC2=O)cc(OC)c1O T32396
CC(C)CCCC(C)C\C=C\C(\C)=C\C(=O)OCC#C T32397
CC(CCO)CCC=C(C)C T3240
Clc1cccc(C#N)c1NC(=O)Cn1c2ccccc2c2ccccc12 T32401
CC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CC2CN(C2)C(C)=O)cc1O T32402
Cn1c2ncn(CCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)c2c(=O)n(C)c1=O T32405
Cn1c2ncn(CCN3CCN(CC3)c3ccccc3[N+]([O-])=O)c2c(=O)n(C)c1=O T32406
C[C@]12CN3[C@@H]4C[C@@]56[C@@H]7C[C@H]([C@H](O)[C@H]5[C@](CCC1)([C@@H]37)[C@H]24)C(=C)[C@H]6O T32409
CC(CCCC(C)\C=C\C=C(/C)CCCc1ccoc1)CC(=O)C(O)C(C)Cl T32411
COc1c(C)c(O)c(CC2(C)C(O)=C(C)C(=O)C(C(=O)C(C)C)=C2O)c(O)c1C(=O)C(C)C T32415
NC1=NC(=O)N(CN1)[C@H]1C[C@H](O)[C@@H](CO)O1 T32418
COc1ccc(CN[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC T32419
O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O T3242
[H][C@@]12CC(=O)[C@H]([C@H](C)C(=O)CCC(C)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T32420
COc1ccccc1OCCN1CCN(CC2COc3ccccc3O2)CC1 T32423
OC(=O)c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1 T32424
COc1cc2c(NCCCCCO[N+]([O-])=O)ncnc2c(OC)c1OC T32426
OCCNC(=O)C(F)(F)Cn1ccnc1[N+]([O-])=O T32427
Cl.CN(C)NCCCl T32428
C[N+](C)(C)CC([O-])=O T3243
CNC(=O)C1=NOC2(C1)C=C(Br)C(=O)C(Br)=C2 T32430
NCCC(=O)c1ccccc1N T32431
Nc1c(nc(Cl)c2c(O)nnc(O)c12)-c1ccccc1 T32432
COc1cccc(OC)c1C(=O)Nc1nnc(s1)-c1ccc(OC(F)(F)C(F)(F)F)cc1 T32433
CC(NCC=C)C(=O)Nc1ccccc1C T32434
CC(N)CC(c1ccc(O)cc1)c1ccc(O)c(C)c1 T32436
CC(C)C1(COC(=O)NC1=O)c1ccccc1 T32437
CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1)C(O)=O T32438
CC(C)(Oc1ccc(cc1)N(C(N)=O)c1cc(Cl)cc(Cl)c1)C(O)=O T32439
[Na+].OCC1OC(O)C(NS([O-])(=O)=O)C(O)C1O T3244
CC(C)(C)c1cc(ccc1OC(=O)c1ccc[n+]([O-])c1)C1CCCCC1 T32441
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C(C)C(O)=O)c2c1 T32442
Cn1c(ncc1[N+]([O-])=O)C1=NOC2CCCCCCC12 T32443
Nc1ncnc2n(Cc3c(Cl)cccc3Cl)cnc12 T32444
Cn1c(ncc1[N+]([O-])=O)C1=NOC2C1CCC(O)C2O T32445
CCN(CC)C(=O)C1CCC2C1CCC1C2CCC2C1CCC(=O)N2C T32446
OC(=O)c1ccc2C=Cc3ccccc3S(=O)(=O)c2c1 T32447
Nc1ns(=O)nc1NCCCOc1cccc(CN2CCCCC2)c1 T32449
CC1=CC[C@@H](CC1=O)C(=C)C T3245
O=C([O-])C[C@H](C)[C@@H](O)C1=CC=C(SCCCOC2=CC=C(C(C)=O)C(O)=C2CCC)C=C1.[Na+] T32452
NS(=O)(=O)c1cc2ccc(O)cc2s1 T32453
[H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C=C[C@]12C T32454
CCOC(=O)[C@@H]1[C@@H](CC)C(=O)N1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O T32455
COc1cc(cc(OC)c1OC)[C@H]1CC[C@@H](S1)c1cc(OC)c(OC)c(OC)c1 T32457
CC(=O)OCCc1ccc(OC[C@@H](O)CNC(C)(C)C)cc1 T32458
CC(=C)C1CC=C(C)C(O)C1 T3245L
CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]33CCN(CC=C1)[C@@H]23 T3246
[H][C@@]12[C@@H](OC)C(=O)N1C(C(=O)N1CCCC1)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O T32460
OC(=O)\C=C/C(O)=O.Clc1cncc(n1)C1CN2CCC1CC2 T32467
CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)C[C@@H](O)c2c1 T32468
CCc1cc(CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C T32469
CCc1cc(NCc2nc3ccccc3o2)c(=O)[nH]c1C T32471
CC(O)c1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C T32472
CCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1CO T32473
CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)[C@@H]3CCc4cc(ccc4C3)C#N)CC(=O)c2c1 T32475
CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)[C@@H]3CCc4cc(ccc4C3)C#N)C[C@@H](O)c2c1 T32477
Cc1nc(NC(=O)NC(=O)c2ccccc2Cl)cnc1-c1ccc(Br)cc1 T32478
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1 T3248
CC(C)NCC(COc1ccc(cc1)C(C)(C)C)OC(=O)C(O)=O T32482
Cl.CCCCN(CCCC)CCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccccc12 T32483
[Na+].[O-]\C=C1/C(=O)N(N=C1c1ccccc1)c1cccc(c1)C(F)(F)F T32486
CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO T32490
FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 T32491
CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 T32492
Cl.CCC(COC(C)=O)(CN(C)C)c1ccccc1 T32493
CCC1(COC(=O)N(C)C1=O)c1ccccc1 T32494
CCCC1(COC(=O)NC1=O)c1ccccc1 T32495
O=C([O-])C[C@@H](C)[C@H](O)C1=CC=C(SCCCOC2=CC=C(C(C)=O)C(O)=C2CCC)C=C1.[Na+] T32498
OCCCCCCC\C=C\C(O)=O T3250
ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c1ccccc1 T32500
CC(Cc1ccccc1)\C=C(/C)CCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O T32502
CC(CCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O)CC(C)C\C=C\c1ccccc1 T32503
CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 T32506
CCOC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C T32509
C[N+]1(CCC[C@H]1C(=O)O)C.[Cl-] T3251
CN(C)C(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 T32512
CCSC1NC=CC=C1C(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O T32513
CN1CCC(CC1)(SN=O)C(NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O T32514
COC(=O)[C@H](C)N(C(=O)c1ccno1)c1c(C)cccc1C T32515
[2H]O.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC T3252
OCCc1ccc(O)c(c1)-c1c(O)c(O)c2C(=O)c3cc(O)c(C(O)=O)c(C(O)=O)c3C(=O)c2c1O T32521
[Cl-].CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 T32522
OC1=Cc2ccc(O)c3ccc(-c4ccccc4)c(C1=O)c23 T32523
COc1ccc(cc1O)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1O T32524
OCc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 T32528
CC1(C)CCC[C@@]23CC[C@](C)(C[C@@H]12)C(=O)O3 T32531
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(N=C=S)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O T32532
C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 T32533
OC[C@H](O)[C@H]1OC(=O)C(O)=C1O.CNCC(O)c1ccc(O)c(O)c1 T32536
CCCCCCCCCCCC(=O)C(O)CC T32537
CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CO T3254
CC(=O)c1c(O)cc(O)c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T32541
CCC(O)C(CC(C)NC)(c1ccccc1)c1ccccc1 T32542
COCCCNc1nc(NCCCOC)nc(SC)n1 T32543
[OH-].COc1ccc2CC3=[N+](CCc4cc5OCOc5cc34)Cc2c1OC T32544
COc1cc(ccc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 T32545
Oc1ccc(cc1O)C1=C2N(C=Cc3cc(O)c(O)cc23)C2C1c1cc(O)c(O)cc1OC2=O T32546
COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1[C@@H](O)[C@H]1O[C@@]21C T32549
Nc1ccn(C2CSC(O2)C(O)=O)c(=O)n1 T32550
[H][C@]12CCCCN1CCC[C@@H]2CN1C(=O)CCCC1=O T32551
Cn1nc(N)nc1NCCCOc1cccc(CN2CCCCC2)c1 T32552
COc1ccc2c(oc(cc2=O)-c2ccccc2)c1\C=C\C(C)(C)O T32553
[H][C@@]12[C@H](O)CC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)[C@@H]3CC=C(C)C(=O)O3)C=C1C=CC(=O)OC2(C)C T32554
CS(=O)(=O)c1ccc(C(=O)C2=C(O)CCCC2=O)c(Cl)c1OCCC1OCCO1 T32555
C[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@](C)(O)[C@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@H]1C T32556
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC[C@H](O)C(C)(C)O)[C@@]1(C)CC[C@H](O)C2(C)C T32557
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C T32558
C[C@H](CN1CCCC1)C(=O)c1ccc(cc1)C(F)(F)F T32561
O[C@H]1C[C@@H](O)[C@H](\C=C\C2(COc3cccc(Cl)c3)OCCO2)[C@H]1C\C=C/CCCC(O)=O T32562
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)[C@]3(O)CC[C@]21CO3)C(O)=O T32566
COc1ccc-2c(c1)C(=O)c1nccc3cc4OCOc4c-2c13 T32567
O=P(C(C1=C(C)C=C(C)C=C1C)=O)(C2=CC=CC=C2)[O-].[Li+] T32568
COC(=O)c1cc(OC)c(O)c2occ(\C(O)=C\C(C)=O)c(=O)c12 T32569
CCN1C[C@@]2(O)CC[C@@H](OC)[C@]34[C@H]5C[C@H]6[C@H](OC)[C@H]5[C@@](O)(C[C@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14 T32570
CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@@](C[C@@H]6OC)(OC)[C@@H]([C@@H](OC(C)=O)[C@H]23)[C@@H]14 T32571
[H][C@]12CCC(=C)[C@@]3([H])CC[C@H](C)[C@]3([H])[C@@]1([H])C2(C)C T32572
C1CCNCC1.CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T32573
O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 T32574
CO[C@H]1C[C@H](OC)C(=O)C([C@@H](O)[C@H](C)N[C@@H](CCC(N)=O)C(O)=O)=C1C T32575
C\C=C(\C)C(=O)O[C@@]1(C)[C@H]2[C@@H](OC1=O)\C=C(C)\CC\C=C(C)/C[C@@H]2OC(C)=O T32576
C\C=C(/C)C(=O)O[C@@H]1C[C@](C)(O)C(=O)[C@H](OC(=O)C(\C)=C\C)[C@]2(C)CC[C@](O)(C(C)C)C12 T32577
[ClH-].CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](OC(=O)C(\C)=C\C)[C@H]12)C(C)(C)O T32579
CCC\N=C1/S\C(=C/c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C T3258
OC(=O)C[C@H](NC(=O)c1ccccc1)C(O)=O T32580
O=C(C1=C([N+]([O-])=O)C=C(OCO2)C2=C1)NN/C=C3C=C(C(C)(C)C)C(C(C(C)(C)C)=C/3)=O T32582
[H][C@@]12C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])[C@](C)(C[C@H]2O)OC(=O)\C=C\c1ccccc1 T32583
CCc1coc2cc(O)cc(O)c2c1=O T32584
C\C(CCC1=C(C)CCCC1(C)C)=C/OC=O T32585
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CCC23CN1C T32586
COC(=O)\C=C(\C)CC\C=C/[C@@H](C)CC[C@@H]1CCC[C@@](O)(O1)[C@@H]1CSC(=O)N1 T32587
[H][C@]12CC\C(C)=C/C(=O)O[C@]3([H])C[C@@]([H])(CCC(C)\C=C/[C@]1([H])O2)O[C@@](O)(C3)[C@H]1CSC(=O)N1 T32588
COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O T32589
Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C1CCCCC1 T3259
[H][C@]12C[C@@]3(CC[C@H](O)CC3)c3c4OCOc4cc(CCN1)c23 T32590
COc1ccc2C[C@@H]3NCCc4cc5OCOc5c(c34)-c2c1O T32591
CCCCCCCCCCCC(=O)c1ccc(OCC[N+](C)(C)Cc2ccccc2)cc1 T32592
[Cl-].CCCCCCCCCCCC(=O)c1ccc(OCC[N+](C)(C)Cc2ccccc2)cc1 T32593
CCC(Br)C1CC(Br)C2CC(O2)C(C\C=C\C#C)O1 T32594
CC[C@H]1O[C@H](C\C=C/C[C@@H]1Br)C(C\C=C\C#C)OC(C)=O T32595
[H][C@]12Cc3cccc(O)c3-c3c4OCOc4cc(CC[N@@+]1(C)[O-])c23 T32596
O=C(c1ccncc1)C=Cc2cnccc2 T3260
CCCCCCCCCCCC(=O)N[C@@H](CCSC)C(O)=O T32600
[H][C@@]12OC(=O)[C@@]([H])([C@H]1C)[C@]1(C)C(=O)C[C@@]3([H])C(C)=CC(=O)[C@]3(C)[C@@]1([H])[C@H]2O T32601
CCCCCCCCCCCC(=O)N(C)CC(=O)NCCS(O)(=O)=O T32602
CC1=C(Cn2c3ccccc3nc3c2cccc3=O)CCC(C)(C)C1 T32604
CC(C)=CC[C@@H](COC(C)=O)C(C)=C T32605
CC(C)=CC[C@H](COC(=O)C=C(C)C)C(C)=C T32606
COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 T3261
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1 T32610
OC1=CC=CC(NC2=C3C(C=C(C4=CC=CC(CN5CCOCC5)=C4)S3)=NC=C2)=C1.[H]Cl.[H]Cl T32613
CN1[C@@H]([C@@H](O)c2ccccc2)[C@H]([C@H](O)C1=O)c1ccccc1 T32614
N[C@H](CSS(=O)(=O)C[C@H](N)C(O)=O)C(O)=O T32615
CC1N(C)c2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F T32616
[Na+].[Na+].CN(CC(O)=O)C(\N)=N\P([O-])([O-])=O T3262
OCc1cccc(Cc2c[nH]cn2)c1O T32621
[H][C@@]12CC[C@@](C)(O)[C@@]3([H])CC[C@@H](C)[C@@]3([H])[C@]1([H])C2(C)C T32622
CCCc1c(OC)c(=O)c2ccccc2n1C T32626
CCC(CC)c1cc(=O)c2ccccc2n1C T32627
OC(=O)c1ccccc1C(=O)Nc1ccccc1 T32628
CC1c2c(OC1(C)C)n(C)c1ccccc1c2=O T32631
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 T32633
CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(NC(=O)CCC(N)C(O)=O)C(O)=O T32634
[O-][N+]12CCC[C@H]3CN4C(=O)CCCC4=C(CCC1)[C@@H]23 T32638
[H][C@]12CCCN3CCC[C@]([H])(C13)[C@]1([H])CCCC(=O)N1C2 T32639
Cl.CCNCC(O)c1cccc(O)c1 T3264
CCN1CC2(C)CC[C@H](OC)[C@@]34[C@H]2C[C@H]([C@@H]13)C12CC[C@H]([C@H](O)[C@@H]41)C(=C)[C@H]2O T32640
CCN1CC2(C)CC[C@H](O)[C@]34[C@H]1[C@@H](C[C@@H]23)C12CC[C@H]([C@H](O)[C@@H]41)C(=C)[C@H]2O T32641
CCN1CC2(C)CC[C@H](O)[C@@]34[C@H]2C[C@H]([C@@H]13)C12CC[C@H]([C@H](OC(C)=O)[C@@H]41)C(=C)[C@H]2O T32642
[Na+].CC(O)C(O)C(O)C(OC1OC(=CC(O)C1O)C([O-])=O)C=O T32643
COc1cc(Oc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(C(C)=O)c(O)c1C T32644
C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@H]2C[C@@H](O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 T32646
C[N+](C)(C)CCc1cccc(O)c1 T32647
COP(=O)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1 T32648
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3c(O)c2O1 T32649
COc1c2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T32651
CC(C)CC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O T32654
Cl.C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C([O-])=O T32655
Cc1cc(C)c(CC2=NCCN2)c(C)c1 T32656
CCCCCC[C@@H](O)C\C=C/CCCCCCCCCC(O)=O T32657
[K+].[O-]C(=O)c1ccc(NC(=O)CCn2cnc3c2nc[nH]c3=O)cc1 T32658
OC(=O)c1ccc(NC(=O)CCn2cnc3c2nc[nH]c3=O)cc1 T32658L
Cc1ccc2c(C=O)c(=O)oc2c2C(=C)CCc12 T32659
[H][C@]12OC(=O)C(=C)[C@]1(O)[C@@H](O)[C@H](OC(=O)C(C)C)\C(C)=C\CC\C(C)=C\2 T32661
CC(C)C[C@H](N)C(O)=O.COC(=O)CC[C@H](N)C(O)=O T32663
CCOC(=O)[C@H](CC(C)C)NC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(C)=O T32664
OC1C(O)c2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1 T32665
OC[C@H](O)[C@H]1OC(=O)[C@@]2(OC(=O)C[C@@H]2c2ccc(O)cc2)[C@@H]1O T32666
OCC(O)C1OC(=O)C2(OC(=O)CC2c2ccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C1O T32667
CN(C)c1ccc(cc1)C(c1ccccc1)c1ccc(cc1)N(C)C T32668
Nc1nc2[nH]c(=O)c(=O)[nH]c2c(=O)[nH]1 T32670
OC1=C2C(=O)c3ccccc3C(=O)C2=C(O)CC1 T32671
[H][C@]12CC[C@@]3([H])C(=C)[C@@]4([H])C[C@H](O)C(C)(C)[C@H](O)[C@]4(O)C[C@@]3(C[C@@]1(C)O)[C@@H]2O T32672
Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(O)(=O)=O)[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O T32673
OC[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)C(=O)CO T32674
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T32675
CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(O)=O T32676
CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O T32677
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(N)=O T32678
OC1C(O)c2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1 T32679
C[N+](C)(C)NCCC([O-])=O T3268
CCCCC\C=C/C\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(O)=O)S(=O)(=O)CC(N)C(O)=O T32680
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O T32682
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 T32684
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O T32689
OC(=O)[C@@H]1CCC(=O)N1.Cc1ncc(CO)c(CO)c1O T3269
Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 T32690
Cl.CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1c1ccccc1Cl)C(=O)OC T32691
Br.CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1c1ccccc1Cl)C(=O)OC T32692
C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 T32693
Cl.O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 T32695
O=C1CC[C@](C2CCN(CC2)[11CH2]c2ccccc2)(C(=O)N1)c1ccccc1 T32696
CC(C)NC[C@H](O)c1ccc(O)c(O)c1 T32697
CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12 T32699
OS(O)(=O)=O.NNc1n[nH]\c(=N/N)c2ccccc12 T3270
C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)C1CCC(CC1)(C#N)c1ccc(F)cc1 T32700
[Na+].NC(Cc1ccc(O)c(O)c1)C([O-])=O T32701
CC(=O)OC(C1CCCCN1)c1ccccc1 T32702
Nc1nc(=O)c2N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 T32704
[Mg++].CN1C(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 T32705
C([C@@H]1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12 T32707
Cl.CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1 T32708
[Zn++].[O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1.[O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1 T3271
O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 T32710
[H][C@@]12CC[C@](OC(=O)CCC)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T32712
[H][C@@]12CC[C@](OC(=O)CCCCC)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T32713
CC[C@H](Oc1ccccc1)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O T32714
CCC(=O)O[C@](Cc1ccccc1)([C@@H](C)CN(C)C)c1ccccc1 T32715
Cl.C1OC(OC1C1CCCCN1)(c1ccccc1)c1ccccc1 T32719
CCCCC[C@H](O)\C=C\[C@@H](C=O)[C@@H](C\C=C/CCCC(O)=O)C(C)=O T32720
CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 T32722
COCCOCCN(CC(=O)NCCCCCCOP(O)(O)=O)C(=O)COCCOC T32723
CN(C)C(=O)Nc1cnccc1N T32724
CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 T32725
Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)nc1N T32726
CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)N1CCOCC1 T32727
CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)N1CCCCC1 T32728
CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)N1CCN(C)CC1 T32729
COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)OC T3273
CCC1CN(CCO1)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 T32730
CC(C)CNCC(O)COc1c(C)csc1C(=O)CCc1ccccc1 T32731
OC[C@H](O)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O T32732
[Na+].[Na+].[O-]C(=O)CCC(NC(=O)c1cccnc1)C([O-])=O T32733
N[C@@H](CC[14C](O)=O)C(O)=O T32734
O[C@@H](CC(O)=O)C(O)=O.N[C@@H](Cc1c[nH]cn1)C(O)=O T32735
O.CC1(C)S[Co](OC(=O)[C@@H](N)Cc2cnc[nH]2)OC(=O)[C@@H]1N T32736
CN1C[C@@H](c2ccc3ccccc3c2)c2ccc(cc2C1)-c1ccc(N)nn1 T32737
Cl.C(Cc1nc(CC(c2ccccc2)c2ccccc2)no1)N1CCCCC1 T32739
O=C1CSC(=O)N1Cc1ccc2NC(=O)\C(=C/c3cc(CN4CCOCC4)c[nH]3)c2c1 T3274
CC(CCCC[C@@H]1NC(=O)N[C@@H]1C)C(O)=O T32740
COc1c(\C=C\C(=O)c2ccc(O)cc2)ccc2OC(C)(C)C=Cc12 T32742
Oc1ccc(cc1)C(=O)CC(=O)c1ccc(O)cc1O T32743
COc1c2CC(Oc2cc2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)O T32744
COc1cc2oc(c(O)c2cc1OC)-c1ccc(O)c(CC=C(C)C)c1 T32745
CN(C)CCC(N)(P(O)(O)=O)P(O)(O)=O T32748
CC(=O)C(\C)=C\C=C\C=C\c1ccccc1 T32750
C\C=C1\C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O T32751
O=C([C@@H](N1)CSSCC(C)(C)C1=O)O T32753
CN(C)CCN1C2=NCCN2c2ccccc12 T32754
COc1cc(ccc1O)-c1oc2c(OC)c(O)c(OC)c(O)c2c(=O)c1O T32755
CC(=C)[C@H]1CCC2(C)OC2C1 T32756
CC1(C)OC(CC(O)=O)C23COC(C12)C(=O)C1(C)C3CCC2(C)C(OC(=O)C3OC123)c1ccoc1 T32757
CC(C)=CCCC(C)(OC(=O)c1ccccc1N)C=C T32759
CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1 T3276
CS(O)(=O)=O.Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)C(=O)NCCO T32760
CC(C)[C@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@H]12 T32763
Nc1ncnc2cc3n(cnc3cc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O T32764
[H][C@]12C[C@]3(C)C[C@]([H])(O1)OC(C)(C)[C@]23[H] T32765
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O T32766
CC\C=C/C\C=C/C\C=C/CCCCCCCCN T32767
CCCCC\C=C/C\C=C/CCCCCCCC(=O)Nc1ccccc1 T32769
Cl.CC(C)(C)NCC(O)c1ccccc1Cl T3277
[NH-]c1c[n+](no1)N1CCOCC1 T32770
CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1 T32771
COC(=O)\C=C\c1cc(OC)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 T32773
CC(C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N T32774
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1 T3278
CC(=O)c1ccc2oc(=O)cc(C)c2c1O T32784
CC1CCN(C[C@H]2CCCC[C@H]2NC(=O)c2cc(Cl)c(N)cc2OCC2CC2)CC1 T32785
CCOc1cc(OP(=S)(OC)OC)nc(n1)C(C)C T32786
Oc1cc2ccnc3C(=O)c4ccccc4-c(c1O)c23 T32787
Cc1cc(=O)oc2cc(OC(=O)OC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)ccc12 T32788
Nc1ccc(cc1)C(=O)OCC(O)CO T32789
OC(=O)\C=C/C(O)=O.C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1 T3278L
Nc1ccc(cc1)S(=O)(=O)N([Ag])c1ncccn1 T3279
[H][C@]12CCCN1C(=O)[C@H](CCCCN)N([C@@H](CCc1ccccc1)C(O)=O)C2=O T32790
OC\C=C\C=C1/OC(=O)C(\C=C\CO)=C1 T32793
[Li+].CC(=O)Oc1ccccc1C([O-])=O T32795
[Li+].Cc1c(C([O-])=O)c(O)cc2C(=O)C3=C(C=C(C4OC(CO)C(O)C(O)C4O)C(O)=[C]3(O)O)C(=O)c12 T32796
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C=C[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C T32797
C[C@H](CCC(=O)ON1C(=O)CCC1=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C T32798
CC(C)CC(=O)OC(\C=C\C(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O T32799
O.O.O.O.[Na+].[Na+].OP([O-])(=O)C(Cl)(Cl)P(O)([O-])=O T3280
CN1C2CCC1CC(C2)OC(=O)C(O)Cc1ccccc1 T32800
Br.OCC(O)CN1CCN(CC1)c1ccc(F)c(c1)C(F)(F)F T32802
Cl.CN(C)c1ccc(Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 T32803
C=CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O T32804
CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C(O)=O)=C12 T32805
Cc1nc2ncccc2c(=O)n1CN1CCCCC1 T32806
COc1ccc(cc1OC)C(=O)N(C)O T32807
O=C1C=C(OC)C[C@@H]([C@@H](O)[C@H](O)CCC)O1 T32808
CC(O)C([O-])=O T32809
Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(O)=O)C1Cc2ccccc2C1 T3281
[H][C@@]12O[C@@]1([H])C(=O)C(O)=CC2NC(C)=O T32810
CC(C)C[C@H](N)[13C](O)=O T32811
C[C@H]1C[C@H](O)C2C(C=C[C@@]3(C)OCCC(=O)[C@@]23C)=C1 T32813
NCCCC[C@H](N)C(N)=O T32814
O[C@@H](CC(O)=O)C(O)=O.NCCCC[C@H](N)C(O)=O T32815
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H]([CH]OOC(=O)[C@@H](N)CCCCN)O2)c(=O)[nH]c1=O T32816
NCCCC[C@H](N)C(O)=O.CC(SCc1nc(no1)-c1ccccc1)C(O)=O T32817
N[C@@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](N)C(O)=O)C(O)=O T32818
OS(O)=O.NCCCC[C@H](N)C(O)=O.NCCCC[C@H](N)C(O)=O T32819
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(O)=O)C1Cc2ccccc2C1 T3281L
NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(N)=O T32820
Cl.CCN(CC)CC\[N+]([O-])=C\c1c(C)cccc1C T32822
CCN(CC)CCCNC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 T32823
COC(=O)c1cc2cc(ccc2n1Cc1ccc(Cl)cc1)S(C)(=O)=O T32824
C[C@](O)(CCO)CC(O)=O T32825
[H][C@]12OC[C@](CO)(O[C@H]1n1cnc3c(N)ncnc13)[C@H]2O T32826
CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 T32827
Cc1c(cccc1-c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(N)nc1 T32828
[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@@]34N)[C@@H](C)O)[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O T32829
CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1 T3283
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34N)C(=O)OC)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O T32830
[H][C@@]12C=C[C@@H](O)[C@]1([H])C(C)=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T32831
CN1C(CC(O)c2ccccc2)CCCC1CC(O)c1ccccc1 T32832
CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 T32833
CCOC(=O)Nc1nc2ccccc2[nH]1 T32834
[H][C@@]12O[C@]1(C)CC\C=C\C[C@H](OC(C)=O)\C=C(C)\C[C@H](OC(C)=O)[C@@]1([H])C(=C)C(=O)O[C@@]21[H] T32835
[H][C@@]12CN3CC[C@]45C(Nc6ccccc46)=C(C[C@](CC)([C@]1([H])O2)[C@]35[H])C(=O)OC T32836
CC[C@@]1(O)CN2CC[C@@]34[C@@H]2C[C@@H]1C(C(=O)OC)=C3Nc1ccccc41 T32837
[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](Cl)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T32838
CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12 T3284
CCc1ccc(OC)c(O)c1 T32841
CN(C)c1nc(Cl)cc(Nc2cccc(C)c2C)n1 T32843
Fc1ccc(cc1)-c1[nH]c(=O)oc1CCN1CCN(CC1)c1cc(Cl)cc(Cl)c1 T32844
Clc1ccc2NCCC(=O)N(c3ccccc3)c2c1 T32845
OC(=O)C1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O T32846
[H][C@@]12CC[C@H]([C@H](C)CC3=NCCC3=C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@@H](O)[C@H](CC[C@]12C)N(C)C T32847
[H][C@@]12CC[C@H]([C@H](C)CC3=NCCC3=C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@@H](O)[C@H](CC[C@]12C)NC(C)=O T32848
[H][C@]12CN3CC[C@]([H])(O1)[C@]3([H])[C@H]2NC T32849
CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12 T3285
C\C(CO)=C/CC1=C(O)C(=O)c2ccccc2C1=O T32852
N[C@@H](COP(O)(=O)OCCNC(N)=N)C(O)=O T32853
COc1ccc(Cl)c2C(CCCc12)N(C)C T32854
CC(=O)CCCCn1cnc2n(C)c(=O)n(C)c(=O)c12 T32855
Cl.NC(=O)NC(=N)Cc1c(Cl)cccc1Cl T32856
COc1cc(OC)cc(\C=C\c2ccc3OC(C)(C)C=Cc3c2)c1 T32857
CCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O T32858
CC(=O)c1cccn1[C@H]1C[C@@H](CC#C)OC1=O T32859
NC(=O)N1c2ccccc2C[C@H](O)c2ccccc12 T3285L
O.[Na+].[Na+].[O-]S(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS([O-])(=O)=O)cc1)c1ccccn1 T3286
[H][C@@]12CC[C@@]3(C)[C@@H](O)[C@]1([H])C(C)(C)CCC[C@@]23C T32860
CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 T32864
OC(=O)C(C(c1ccc(O)cc1)c1ccc(O)cc1)c1coc2cc(O)ccc2c1=O T32867
Cl.COc1cc2CCN(C)[C@@H](C)c2c2OCOc12 T32869
COc1cc2CCN(C)C(C)c2c2OCOc12 T32869L
[H][C@@]12O[C@]1(C)C[C@@]1([H])OC(=O)[C@@]3(O[C@]13[H])[C@H](C[C@@H](Cc1oc2cc1C=O)C(C)=C)OC(C)=O T32870
OC1N=C(c2ccccc2Cl)c2nc(Cl)ccc2NC1=O T32872
CCCCCCCCCCCCOCCCNC(C)CC(O)=O T32874
OCC(CO)(CCl)CCl T32875
O[C@H]1CO[C@@H](OC2C(O)c3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)[C@H](O)[C@H]1O T32876
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1 T3288
OC(=O)CCC(=O)OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O T32880
CC(C)(C)C(=O)OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O T32881
CC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O T32882
CCCC(C)(COC(N)=O)COC(=O)NC1CC1 T32883
OCc1ccn2CCC(=O)c12 T32885
CN(CC(=O)NC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1Cl T32886
CC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N T32887
Cc1ccccc1OCC(O)CN1C(C)(C)CCC1(C)C T32888
COc1ccc(cc1)-c1ccccc1N1CCNCC1 T32889
NCCCNCCSP(O)(O)=O T3289
COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1 T32891
CC(C)(Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(O)=O T32892
[BH3+3].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].Cc1ccccc1NC(=N)Nc1ccccc1C T32893
Br.CN(C)CCSc1nccc(n1)-c1cccs1 T32895
CCOC(=O)C1=C(OC(CC)C(C)C1=O)c1ccccc1 T32896
O=C(CN1CCNCC1)N1c2ccccc2C(=O)Nc2cccnc12 T32897
C[C@H](NC(=O)c1cc(CC(C)=O)c(C)nc1C)c1ccccc1 T32898
C\C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(CO)=C[C@H]3[C@@H]1[C@@]2(C)COC(C)=O T32899
O.NCCCNCCSP(O)(O)=O T3289L
[Na+].[Na+].NCCCNCCSP([O-])([O-])=O T3289L2
OC(=O)CCCNC(=O)c1cccnc1 T3290
N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O T32900
N[C@@H](CO)[13C](O)=O T32902
N[C@@H](CO)C(=O)OP(O)(=O)OC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T32903
O=C(N1CCC(N2CCC(N3C(CC4=C3C=C(Br)C=C4)=O)CC2)CC1)OCC T32904
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(=O)c1cccc(c1)[N+]([O-])=O T32905
C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 T32906
N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(O)=O T32907
CC(C)=C[C@H]1[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C T32908
Cl.COc1cc(cc(OC)c1OC)C(CCCN)(C#N)C(C)C T32909
[Na+].[O-]C(=O)CCCNC(=O)c1cccnc1 T3290L
Cl.CN(C)CCCC1(SC(C)(C)c2ccccc12)C(C)=O T32910
Oc1noc2CCCC(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c12 T32911
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1 T32913
CC(C)(C)\N=N\C(C)(C)C#N T32914
CC(C)(Cc1ccc(Oc2ncccc2C#N)cc1)NC[C@H](O)COc1ccccc1-c1cccs1 T32915
C[C@@H]1C[C@H](O)C[C@H](CO)[C@]11CC[C@H](C1)C(C)=C T32916
CCN(CC)CC[NH+]([O-])c1ccc(C)c2sc3ccccc3c(=O)c12 T32917
CS(O)(=O)=O.CCN(CC)CC[NH+]([O-])c1ccc(C)c2sc3ccccc3c(=O)c12 T32918
CNC(=O)C1(CCCS1)Sc1cccc(C)n1 T32919
CC(C)(C)\N=N\C(C)(C)O T32920
CCC(C)(O)\N=N\C(C)(C)C T32921
CC(C)(C)\N=N\C1(O)CCCCC1 T32922
CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO T32923
CCOCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O T32924
[H][C@@]12CN(C)[C@]3([H])C[C@@H](C)C[C@@]([H])(CC1=O)[C@]3([H])C2 T32925
O=S(C1=C(N)C2=CC(S(=O)([O-])=O)=CC(C(N(NC(NN)=O)C3=O)=O)=C2C3=C1)([O-])=O.[Li+].[Li+] T32926
OC[C@H]1O[C@@H](Oc2ccc3nc(sc3c2)C2=N[C@H](CS2)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O T32927
CN1CCC[C@@H]1Cc1c[nH]c2cccc(O)c12 T32928
Cn1c2[nH]c(=O)[nH]c(=O)c2ncc1=O T32929
[H][C@@]12CC(C)(C)[C@@H](O)C[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(O)=O T32930
[H][C@@]12C[C@H](O)[C@]3(C)CC[C@@]4([H])C(=C)C(=O)O[C@]4([H])[C@@]3([H])[C@]1(C)O2 T32932
[H][C@@]12CC[C@@]3(C)[C@@H](O)C[C@@H](O)C(=C)[C@]3([H])[C@@]1([H])OC(=O)C2=C T32933
[H][C@@]12CC[C@@]3(C)[C@@H](O)CC(=O)C(C)=C3[C@@]1([H])OC(=O)C2=C T32934
CC(C)N(C)c1nc2c(NC3CCCC3)ncnc2n1C T32935
CCN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O T32937
C\C(CCC1=C(C)C(O)CCC1(C)C)=C/CC\C(CO)=C\CC1OC(=O)C=C1CO T32940
CC1=C(CCC(C)(O)\C=C\C\C(CO)=C\CC2OC(=O)C=C2CO)C(C)(C)CCC1 T32941
CN1C(CNC(=O)c2ccoc2)CN=C(c2ccccc2)c2ccc(F)cc12 T32942
Clc1ccc([C@H]2CS\C(S2)=C(\C#N)n2ccnc2)c(Cl)c1 T32943
C\C=C/CCCCCCCCCCCCCCCCCCCC(O)=O T32945
[H][C@]12C=C(OC)C(=O)[C@@]1([H])C1=C2c2c(CC[C@@H]1NC(C)=O)cc(OC)c(OC)c2OC T32946
Cn1ccc(N)n1 T3295
[H][C@@]12CC=C([C@H](C)C\C=C\S(=O)(=O)C(C)(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T32952
COc1cccc2c(OC)c(C[C@@H](O[Cl](=O)(=O)=O)C(C)C)c(=O)n(C)c12 T32953
COc1cccc2c1n(C)c1O[C@@H](Cc1c2=O)C(C)C T32954
O=C1CC2OCC3CCCCCNCC(=O)\C=N\C4=CC(CNC(=O)CCC23C=C1)C=C4 T32955
Cl.O=C1CCC2C=CC3=CC22C1OC\C2=N\CC(=O)CCCCCCCCNCC(=O)\C=N/3 T32955L
[O-][Cl](=O)(=O)=O.COc1cccc2c(OC)c3C[C@@H](Oc3[n+](C)c12)C(C)C T32956
CC(C)[C@@H]1Cc2c(O1)n(C)c1c3OCOc3ccc1c2=O T32957
OC(=O)c1c(O)cccc1CCc1ccc(O)cc1 T32958
Oc1ccc(CCc2cccc(O)c2)cc1 T32959
[H][C@@]12[C@H](CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)C T32960
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C=O)C(C)=C T32961
O[Cl](=O)(=O)=O.[H][C@]12CN3CCCC[C@@]3([H])[C@]([H])(CN3C(=O)CCC[C@]13[H])C2 T32964
Cl.Cl.[H][C@@]12CN3C(=O)CCC[C@@]3([H])[C@@]([H])(CN3CCCC[C@]13[H])C2 T32965
[H][C@@]12CCCCN1C(O)[C@@H]1C[C@H]2CN2C(=O)CCC[C@]12[H] T32966
Cl.OC1C2CC(CN3C2CCCC3=O)C2CCCCN12 T32967
Nc1ccc(cc1)C(=O)OCC1CCCN2CCCCC12 T32972
[H][C@@]12CCCCN1CCC[C@@H]2CO T32973
[H][C@@]12CCCCN1CCC[C@H]2COC(=O)C=C T32974
COc1cc(ccc1O)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O T32975
CN(C)Cc1ccc(CSCCNc2nc(=O)c(Cc3ccc(C)nc3)c[nH]2)o1 T32976
OC(COc1cccc(Cl)c1)CS[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T32977
O[C@H](COc1cccc(Cl)c1)CS[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O T32978
[H][C@@]12[C@H](O)C[C@@H]3C[C@@]1(C[C@H](OC(C)=O)[C@]1([H])C(C)(C)[C@@H](OC(C)=O)[C@@H](O)C[C@@]21C)C(=O)C3=C T32979
[H][C@]12CCCCN1CCC\C2=C/NC(C)=O T32980
OP(O)([O-])=O.CCCCCCCCCCCCCCCC[N+](C)(C)CCO T32983
[H][C@]12CC[N+]3(C)C=CC(COC(=O)[C@](C)(OC(C)=O)[C@H](C)C\C(=C/C)C(=O)O1)=C23 T32984
O=C(OC1=CC=CC(NC(C2(CN)CCN(C3=C4C(NC=C4C)=NC=N3)CC2)=O)=C1)N(C)C.[H]Cl T32985
CC1CN(CCC(O)c2ccccc2)CCC1(C)c1cccc(O)c1 T32986
Cl.COc1cc(SC)ccc1-c1nc2cnccc2[nH]1 T32987
COc1ccc2O\C(=C/c3cccc(c3)C(O)=O)C(=O)c2c1 T32988
Cl.COc1cc(ccc1-c1nc2cnccc2[nH]1)S(C)(=O)=O T32989
[H][C@@]12SCC(C)=C(N1C(=O)C2NC(=O)C(N)c1csc2ccccc12)C(O)=O T32990
[H][C@@]12CCCN(CCC)[C@@]1([H])Cc1cnc(N)nc1C2 T32991
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)N(CCC)CCC)cc3CC[C@@]21[H] T32992
Clc1ccc(NC(=O)NS(=O)(=O)c2ccc(cc2)N=[N+]=[N-])cc1 T32993
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F T32994
OC(=O)C(O)=O.CNCCC(Oc1cccc2ccccc12)c1cccs1 T32995
CC1CN(CCC(O)C2CCCCC2)CCC1(C)c1cccc(O)c1 T32996
CC1=C(C(c2csc3ccncc23)C(=C(C)N1)[N+]([O-])=O)C(O)=O T32997
O=C(C1=NN(C)C2=C1C=CC=C2)NC3CC(N4C)CCC4C3 T32998
[H][C@@]12CC[C@H](COCc3nnn[nH]3)C[C@]1([H])C[C@H](NC2)C(O)=O T33000
Oc1ccc(cc1)-c1c(O)c2c(Cl)cc(Cl)cc2[nH]c1=O T33001
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])[C@H](CC=C)[C@H](O)CC[C@]12C T33002
O=C(CNC1CC1)c1ccccc1 T33004
NC(N)=N\N=C(/c1ccc(Cl)s1)c1ccccc1 T33005
Cl.C[C@@H](CCc1ccc(cc1)C(N)=O)NC[C@H](O)c1ccccc1 T33006
CC(C)(\C=C\Cl)C(=O)Nc1ccc(Cl)cc1 T33007
OC(=O)CNC(=O)c1ccccc1.CCCN(CCC)C1Cc2c[nH]c3ccc(C(N)=O)c(C1)c23 T33008
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 T33009
CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3OCOc3cc2C[C@@H]1C T33010
O.C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2cccnc2N(CCO)C1=O T33011
NC(N)=N\N=C\c1cccc(OCc2ccc(cc2)C(=O)c2ccccc2)c1 T33013
CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]ccc12 T33014
Cl.CNCC[C@@H](Oc1ccccc1SC)c1ccccc1 T33015
CCCCNCC1CCC(O1)(c1ccc(F)cc1)c1ccc(F)cc1 T33016
Cl.COc1ccccc1N1CCN(CC[C@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1 T33017
LY-53857 T33018
C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccccc1 T33019
CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1 T33020
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](C[C@@]1(C)OC(=CC1=O)\C(C)=C/2)OC(=O)C(\C)=C\C T33021
[H][C@]12C[C@@H](C)C[C@@]3(NCCC[C@]13[H])c1cccnc1C2 T33022
[H][C@]12C[C@@H](OC(C)=O)[C@@]3([H])CCCN4CCC[C@@]1(O)[C@]34C[C@H](C)[C@H]2O T33023
NC(=O)CNC(CN[C@@H](CC(O)=O)C(O)=O)C(O)=O T33024
[H][C@]12C[C@H](O)\C3=C\CCN(C)CCC[C@]13C(=O)C(OC)=C(C)C2 T33026
[H][C@]12C[C@@H](C)C[C@]34N(CCC[C@]3([H])C(=O)C1)C[C@@H](O)C=C24 T33027
[H][C@@]12[C@H](O)CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@H](C)O T33028
[H][C@@]12[C@@H](CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@H](C)O)OC(C)=O T33029
O=C([C@@H]1N(S(=O)(C2=CC=C(C)C=C2)=O)CCCC1)NC3=NC(C4=CC=C(OC)C=C4)=CS3 T3303
[I-].[H][C@@]12C3=C[C@H](O)[C@@H](O)[C@@]1([H])c1cc4OCOc4cc1C[N+]2(C)CC3 T33030
CC(C)C1N(C)c2ccc(c3[nH]cc(CC(CO)NC1=O)c23)C(C)(CCC=C(C)C)C=C T33033
CC(C)C1N(C)c2ccc(c3[nH]cc(CC(CO)NC1=O)c23)C(C)(CCC(O)C(C)=C)C=C T33034
C[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]1[C@@H]2O[C@H]2C(C)(C)[C@@]1(O)[C@H](O)[C@H]3O T33036
[H][C@@]12O[C@]1([H])C(C)(C)[C@@]1(O)[C@H](OC(C)=O)[C@@H](O)[C@@]34C[C@@]([H])(CC[C@@]3([H])[C@@](C)(O)[C@]21[H])[C@](C)(O)C4 T33037
COC(=O)c1ccccc1\N=C\C1CCC(CCCC(C)(C)O)=CC1 T33038
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@H](C)O)c34 T33040
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(C)CCC)c34 T33041
OC(=O)N1CCCC1.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(O)=O)c34 T33042
OC(=O)\C=C/C(O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 T33043
OC(C(O)C(O)=O)C(O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 T33043L
O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12Cc3c[nH]c4cccc(C1=C[C@@H](CN2C)C(=O)N(CC)CC)c34 T33044
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](C)CN2C)c34 T33045
NCCCCC(N)C(=O)Nc1ccc(cc1)[N+]([O-])=O T33046
CC(C)C(=O)C(O)=O.NCCCC[C@H](N)C(O)=O T33047
NCCCC[C@H](N)C(O)=O.OC[C@H](O)[C@H]1OC(=O)C(O)=C1O T33049
CCCC(O)=O.NCCCC[C@H](N)C(O)=O T33050
OC(O)=O.NCCCC[C@H](N)C(O)=O T33051
NCCCC[C@H](N)C(=O)CCl T33052
NCCCC[C@H](N)C(O)=O.CC(C)(Oc1ccc(Cl)cc1)C(O)=O T33053
CC(O)C(O)=O.NCCCC[C@H](N)C(O)=O T33054
NCCCC[C@H](N)C(=O)NO T33055
CC(C)CC(=O)C(O)=O.NCCCC[C@H](N)C(O)=O T33056
C[C@H](O)C(O)=O.NCCCC[C@H](N)C(O)=O T33057
CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O T33058
C\C=C\C=C\C=C\C(O)=O.NCCCC[C@H](N)C(O)=O T33059
COc1ccc2cc(OCC3(CN(C3)C(=O)c3ccc(F)cc3)C(O)=O)ccc2c1 T3306
OC(=O)[C@@H]1CCC(=O)N1.NCCCC[C@H](N)C(O)=O T33060
NCCCC[C@H](N)C(O)=O.OC(=O)c1ccccc1O T33061
NCCCC[C@H](N)C(O)=O.Cn1c2nc[nH]c2c(=O)n(C)c1=O T33062
OC(=O)C1CSCN1.NCCCC[C@H](N)C(O)=O T33063
CCCC(CCC)C([O-])=O.NCCCC[C@H](N)C(O)=O T33064
Cl.Cl.NCCCC[C@@H](N)C(O)=O T33065
NCCCC[C@H](N)C(=O)Nc1ccc2ccccc2c1 T33066
[3H]C(CN)C([3H])C[C@H](N)C(O)=O T33067
N[C@@H](CCCCNCCCC[C@H](N)C(O)=O)C(O)=O T33069
NCCCCC(N)CS T33070
N[C@@H](CCCCNCC(N)C(O)=O)C(O)=O T33071
N[C@@H](CCCCNC[C@@H](N)C(O)=O)C(O)=O T33072
N[C@@H](CCCCNC[C@H](N)C(O)=O)C(O)=O T33073
CN[C@H]1[C@H](O)[C@@H](O[C@H]2OC(CN)=CCC2NC(=O)CC(N)CCCN)[C@H](N)[C@@H](O)[C@H]1OC T33074
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)(O)=O T33076
C[C@@H](N[C@@H](CCCCN)C(O)=O)C(O)=O T33077
C1Cc2c(C1)c1ncccc1c1[nH]c3ccccc3c21 T33078
COC(=O)[C@H](Cc1c(Sc2ccccc2[N+]([O-])=O)[nH]c2ccccc12)NC[C@@H](N)CCCCN T33079
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(O)=O T33080
NCCCC[C@H](N)C(=O)N[C@@H](CCCN)C(O)=O T33081
Cl.NCCCC[C@H](N)C(=O)N[C@@H](CCCN)C(O)=O T33082
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O T33083
NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)N[C@@H](CCCCN)C(O)=O T33084
C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)CCCCN)C(O)=O T33085
C[C@H](N(C(=O)[C@@H](N)CCCCN)c1ccc2ccccc2c1)C(N)=O T33086
NCCCC[C@H](N)C(=O)N[C@@H](CS)C(O)=O T33088
O.O.NCCCC[C@H](N)C(O)=O.N[C@@H](CCC(O)=O)C(O)=O T33089
NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O T33091
NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O T33093
NCCCC[C@H](N)C(=O)OP(O)(=O)OCC(O)CO T33094
NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=O T33095
NCCCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O T33097
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@@H](O)COP(O)(O)=O)c2cc1C T33099
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C T33100
OC[C@@H](O)[C@H](O)[C@H](O)C(O)=O T33101
OC[C@H](O)[C@@H](O)[C@@H](O)C=O T33102
[H][C@@]12Oc3cccc4C[C@H]5N(C)CC[C@@]1(c34)[C@@]51C[C@@H](C(C)(O)CCC(C)C)C2(OC)C=C1 T33103
Cl.Cc1ccccc1N(CCOc1ccc(Cl)cc1)C(=O)CN1CCCCC1 T33104
CCCc1nc(N)nc(Nc2ccc(F)cc2)n1 T33105
Cl.Cc1ccccc1N(CCOc1ccc(Cl)cc1)C(=O)CN1CCOCC1 T33106
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@]51CCC2(OC)[C@@H](C1)C(C)(O)CCC)ccc3O T33107
COc1ccc(OCC(O)CNC(C)(C)C)cc1 T33108
COc1ccccc1OCC(O)CNC(C)(C)C T33109
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C T3311
CC1CC2(NC(=O)NC2=O)c2cc(F)ccc2O1 T33110
OC(COC1CN2CCC1CC2)(C1CCCC1)c1ccccc1 T33111
OC(=O)C(O)=O.COc1cc(NC(C)CCCN)c2ncccc2c1C(=O)C(F)(F)F T33112
CS(=O)(=O)c1ccc(CN(CCO)C(=O)C(Cl)Cl)cc1 T33117
CS(O)(=O)=O.CCCCCCCCOc1ccc(N)cc1CSC T33118
Cl.CC(=O)OCc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T33119
CNC(=O)Nc1cc(Oc2cncc(C)c2)c(cn1)-c1ccc(OCC(C)(C)O)nc1 T3312
Nc1cc(ccc1O)\N=N\c1cccc(c1)S(O)(=O)=O T33121
Nc1nc(N)c(CCCOc2ccc(NC(=O)c3cccc(c3)S(F)(=O)=O)cc2Cl)c(N)n1 T33122
CN(C1=CC=C(/N=N/C2=CC=CC(CO)=C2)C=C1)C T33125
Cc1cccc(c1)S(=O)(=O)c1ccc(F)cc1 T33126
FC(F)C(F)(F)Oc1cccc(c1)N=C=O T33127
NS(=O)(=O)c1cccc(Nc2nnns2)c1 T33128
CCCC(C)c1cccc(OC(=O)NC)c1 T33129
OC(=O)[C@H]1CSC(=N1)c1nc2ccc(O)cc2s1 T3313
Oc1cccc(c1)N1CCCC1 T33130
Oc1cccc(OCCOc2ccccc2)c1 T33131
ClC(Cl)C(c1ccc(Cl)cc1)c1cccc(Cl)c1 T33132
COc1cc(N)ccc1OCCCCCCC(OC(C)=O)c1ccccc1 T33133
Cc1cc(cc[n+]1C(c1ccccc1Cl)c1ccccc1Cl)-c1ncccn1 T33137
Oc1c(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1 T33138
CCCCCCCCOc1ccc(NC(=O)CN(CC)CC)cc1OC T33139
CC(=C)C1CCC(CO)=CC1 T3314
CCOCCN(C(=O)CCl)c1cccc(OC)c1 T33140
COc1cccc(NC(=O)CI)c1 T33141
Cl.CCN(CC)CCN(C(=O)COc1ccc(OC(C)C)cc1)c1cccc(OC)c1 T33143
Cl.CCN(CC)CCN(C(=O)COc1ccc(OC)cc1)c1cccc(OC)c1 T33144
Cl.CCCCOc1ccc(OCC(=O)N(CCN(CC)CC)c2cccc(OCC)c2)cc1 T33145
CCOc1cccc(NC(=O)CCl)c1 T33146
CCOc1cccc(NC(=O)CI)c1 T33147
O=C(N(C1=CC=CC(OC)=C1)C(C)CN2CCCC2)COC3=CC=C(OCCCC)C=C3.[H]Cl T33149
ONC(=O)CNC(=O)c1ccc(Cl)cc1 T3315
CN(C(=O)CF)c1cccc(C)c1 T33150
Cl.CCN(CC)[C](F)(F)(F)C(=O)Nc1ccc(Cl)c(C)c1 T33151
Cl.Cl.CCN(CC)CCN(C)CC(=O)Nc1cc(C)ccc1Cl T33152
Cl.CCN(CC)CC(=O)Nc1cc(C)ccc1Cl T33153
Cl.CCN(CC)[C](F)(F)(F)C(=O)Nc1cc(C)ccc1Cl T33154
CN(C)CC(=O)Nc1ccc(O)c(C)c1 T33155
Cl.CCN(CC)CC(=O)N(Cc1ccccc1)c1cccc(C)c1 T33156
CC1(CCCC23[C@@H]1[C@@H](C4([C@]56[C@H]2[C@H](C[C@H]([C@@H]5O[C@H]3O4)C(=C)C6=O)O)O)O)C T33157
[H][C@@]12C[C@H](O)[C@@H]3[C@@H](O)[C@@]1([C@H](O)C[C@]1([H])[C@](C)(CCC[C@@]21C)C=O)C(=O)C3=C T33158
COC(=O)C1CC23C4=C(CCC14)CCC1CN4CC(C)C(CC(OC(C)=O)C21COC(C)=O)C34O T33159
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C T3316
[Cl-].COC(=O)[C@@]1(CO)[C@H]2C[C@H]3c4[nH]c5ccccc5c4C[C@@H]1[N@@+]3(C)C\C2=C\C T33160
CCCC\C=C/CCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O T33161
COc1cc(CCCCCCCCCCCCc2cc(O)c(C)c(OC)c2)cc(O)c1C T33162
[Mg++].CCCCCCCCCC([O-])=O.CCCCCCCCCC([O-])=O T33164
[H][C@@]12C[C@]3([C@H](C)C[C@@H](O)[C@]3(O)[C@]3(C)COC(=O)[C@]13O)[C@@H](O)C(=O)O2 T33166
Nc1ccc(OCCCCCN2C(=O)C=CC2=O)cc1 T33167
O[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T33169
CCc1cc2c(occ(-c3nc4ccccc4s3)c2=O)c(CN2CCCCC2)c1O T3317
[H][C@]12CCCCN1C[C@@H](C[C@@H]2CO)c1cccc(=O)[nH]1 T33170
CC(C)CC(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O T33171
O=C(OC(C#N)c1ccccc1)c1ccccc1 T33173
N#CC(O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C2=CC=CC=C2 T33174
O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O T33175
OC(C#N)c1cccc(O)c1 T33176
COc1cccc(c1)C(=O)NCCCCCOc1ccc(N)cc1 T33177
Cl.CCCCCCC(C)Oc1ccc(N)cc1OC T33178
NA T33179
COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1 T3318
COc1cc(N)ccc1OCCCCCSc1ccc(Cl)cc1 T33180
CS(O)(=O)=O.COc1cc(N)ccc1OCCCCCOCc1ccccc1 T33181
COc1cc(N)ccc1OCCCCCS(C)(=O)=O T33182
COc1cc(N)ccc1OCCCCCSc1ccccc1 T33183
COc1ccc(CCCCCOc2ccc(N)cc2OC)cc1 T33184
COc1cc(N)ccc1OCCCCCc1ccc(cc1)[N+]([O-])=O T33185
COc1cc(N)ccc1OCCCCCC1CCCCC1 T33186
COc1cc(N)ccc1OCCCCCOc1ccccc1 T33187
COc1cc(N)ccc1OCCCCCc1ccccc1 T33188
COc1cc(N)ccc1OCCCCCc1ccc(C)cc1 T33189
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 T3319
COc1cc(N)ccc1OCCCCCCc1ccccc1 T33190
COc1cc(N)ccc1OCCCCCCCOc1ccccc1 T33191
COc1cc(N)ccc1OCCCCCCCc1ccccc1 T33192
COc1cc(N)ccc1OCCCCCCCCc1ccccc1 T33193
COc1cc(N)ccc1OCc1ccc(cc1)S(C)(=O)=O T33194
Br.CCC(CC)COc1ccc(N)cc1OC T33195
COc1ccc(OCCCOc2ccc(N)cc2OC)cc1 T33196
CCC\C=C\CCOc1ccc(N)cc1OC T33197
COc1cc(N)ccc1OCCCOc1ccccc1 T33198
COc1cc(N)ccc1OCCCc1ccccc1 T33199
c12c([C@]3(c4c([C@@H](C1)N3)cccc4)C)cccc2.C(=O)(/C=C\C(=O)O)O T3320
Br.COc1cc(N)ccc1OCCCC=C T33200
CS(O)(=O)=O.COc1cc(N)ccc1OCCCCc1ccccc1 T33201
COc1cc(N)ccc1OCc1ccccc1 T33202
COc1cc(N)ccc1OC1CCCC1 T33203
CCCCCCCOc1ccc(N)cc1OC T33204
CCCCCCOc1ccc(N)cc1OC T33205
CCCCCCCCCOc1ccc(N)cc1OC T33206
CCCCCCCCOc1ccc(N)cc1OC T33207
CCCCCOc1ccc(N)cc1OC T33208
CCCCOc1ccc(N)cc1OC T33209
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O T3321
CCCOc1ccc(N)cc1OC T33210
COc1cc(ccc1OCCCCCc1ccccc1)N(C)C T33211
CNc1ccc(OCCCCCc2ccccc2)c(OC)c1 T33212
CS(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COS(C)(=O)=O T33213
[H][C@@]12CC[C@@]3(C)O[C@](C)(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)C=C T33214
[H][C@]12CC[C@@]3(C)[C@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C)[C@@H](C)CC\C=C(\C)CO T33215
Cl.[H][C@@]12CCC(C)(C)[C@@]([H])(C[C@@H](C1)OC(=O)C(O)(c1cccs1)c1cccs1)N2C T33216
[H][C@@]12CC[C@](O)(C(=O)CN3CCN(C)CC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T33218
CCNC(=O)c1c(O)c(I)c(-n2cccc2)c2sc(nc12)N(CC)CC T33219
c1ccc(cc1)/C=C/C(=O)c1ccccc1 T3322
CN1CCc2ccc(O)cc2C(C1)c1ccc(cc1)N=[N+]=[N-] T33220
COC(=O)Nc1cccc(NC(=O)OC)c1S(S)SS T33221
NNc1cc(cc(c1Cl)S(N)(=O)=O)S(N)(=O)=O T33222
COC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1Cl T33223
CN(C)CC(O)C(c1ccccc1)c1cccc(Cl)c1 T33224
CC1(C)SC2C(NC(=O)C(N)c3ccc(O)c(Cl)c3)C(=O)N2C1C(O)=O T33225
ClCCN(CCCl)Cc1cccc(Cl)c1 T33226
CCCCOC(=O)COc1ccc(Cl)cc1C T33227
[K+].Cc1cc(Cl)ccc1OCC([O-])=O T33228
[S-]C#N.Cc1cccc(O)c1 T33229
[C@H]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]3[C@@]4(CCC(=O)C3(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O)C T3323
CC1=CC(O)=C(C(C)(C)C)C=C1[N+]([O-])=O T33230
Cc1cc(O)ccc1C(c1ccc(O)cc1C)C(Cl)(Cl)Cl T33231
CSc1ccc(C)cc1O T33232
CCCCc1ccc(C)cc1O T33233
CC1=CC(O)=C(CCCCCCCCCC)C=C1 T33234
CC1=CC(O)=C(CCCCCCCCCC)C=C1 T33235
CCCCCCCCCc1ccc(C)cc1O T33236
CCCCCCCCc1ccc(C)cc1O T33237
CCCc1ccc(C)cc1O T33238
CC1=CC(O)=C(C(C)(C)C)C=C1[N+]([O-])=O T33239
O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@@H]23)[C@@H]1O T3324
[O-][N+](=O)c1ccc(cc1)C(=O)Oc1cc(ccc1[N+]([O-])=O)C(F)(F)F T33240
CCN(C(=O)\C=C\C)c1cccc(C)c1 T33241
CC(C)c1cccc(c1)S(O)(=O)=O T33242
CCC(C)c1cccc(c1)C(C)CC T33244
C1CCC(CC1)c1cccc(c1)C1CCCCC1 T33245
CN(C)\C=C1/C2NC1=C(O)C=C2 T33246
Cl.CN(C)\C=C1/C2NC1=C(O)C=C2 T33246L
CN(C)c1cccc(NC(N)=O)c1 T33247
CC1(N)COC(OC1)c1ccc(Cl)c(Cl)c1 T33248
NC1COC(OC1)c1ccc(Cl)cc1 T33249
Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 T3325
CCC1(N)COC(OC1)c1ccc(Cl)cc1 T33250
CC1(N)COC(OC1)c1ccc(Cl)cc1 T33251
NC1(CNCc2ccccc2)COC(OC1)c1ccccc1 T33252
OC1COC(OC1)c1ccco1 T33253
ClCC1(CCl)COC(C2=CC=CC=C2)OC1 T33254
ClCC1(CCl)COC(C2=CC=CC=C2)OC1 T33255
CCCC1OC(OCC1CC)c1ccco1 T33256
CCCC1OCC(CC)(CO1)[N+]([O-])=O T33257
COC(C)C1(COC(C)OC1)C(C)C T33258
C[C@@H]1COCO[C@@H]1c1ccccc1 T33259
CC1(CCO)CCOCO1 T33260
C[C@@H](CNS(C)(=O)=O)c1ccc(cc1)-c1ccc(cc1)[C@@H](C)CNS(C)(=O)=O T33261
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF T33262
Cl.NC\C(=C\Cl)c1ccccc1 T33265
Cl.Cl.Cl.Cl.CN(C)CCN(CCN(C)C)CCN(C)C T33267
OC(=O)C(O)=O.CC(NN)c1ccccc1 T33268
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OCC)[C@@H]2C)O4 T3327
[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C T33271
Cc1[nH]c(nc1CC#N)-c1ccccc1 T33272
Cl.CC(Cc1ccccc1)NCCCCl T33273
CN1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cn2c(nc(N)nc2=O)C1=O T33275
CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(c1)S(N)(=O)=O T33276
COc1ccccc1N1CCN(CCN(C(=O)C2CCC(C[18F])CC2)c2ccccn2)CC1 T33277
Nc1nc(N)nc(Nc2ccc(cc2)[As]2SCC(CO)S2)n1 T33278
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C)[C@@H]1C[C@@H](O[C@H]1O)[C@H](O)C(C)(C)O T33279
C\C=C(\C)C(O)=O T3328
Oc1cccc(Oc2nnn[nH]2)c1 T33280
CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl T33281
Cl.COc1ccc(OCC2=NCCc3ccccc23)cc1 T33282
CCCC(=O)Oc1cc(C)c(OC(=O)CCC)c2ccccc12 T33283
CC(C)C1CCC(C)C[C@H]1O[C@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O T33284
OS(O)(=O)=O.CNC(C)(C)Cc1ccccc1 T33287
COc1cc(cc(OC)c1OC)C(=O)OCCCNCCC(c1ccccc1)c1ccccc1 T33288
CCCC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)c1ccccc1 T33289
COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OC T3329
Nc1ncnc2[nH]c(S)nc12 T33292
NCCS.OC[C@H](O)[C@H]1OC(=O)C(O)=C1O T33293
COC(=O)N(C)C(=O)CSP(C)(=S)OC T33295
CCCCN1C(=O)C(=O)N(CCCC)C1=S T33296
[H][C@@]12[C@@H](C)c3ccc(OC)c(OC)c3CN1CCc1cc(OC)c(OC)cc21 T33299
COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 T3330
[Na+].Oc1ccc(cc1C([O-])=O)\N=N\c1cccc(c1)[N+]([O-])=O T33300
COCC1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1C T33301
Cc1cc(N)c(=O)n(n1)-c1ccccc1 T33302
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(N=C)c1ccccc1)C(O)=O T33304
CC(C)NCC(O)c1cccc(O)c1 T33305
CC1=NOC(=O)\C1=N\Nc1cccc(Cl)c1 T33306
CN(C)c1cnn(-c2cccc(c2)C(F)(F)F)c(=O)c1Cl T33307
CCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(O)=O T33309
COc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1 T3330L
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1N T3331
CN(c1ccc(O)cc1)S(C)(=O)=O T33310
CCCCCCCCOc1ccc(N)cc1CNS(C)(=O)=O T33311
CS(O)(=O)=O.CCCCCCCCOc1ccc(N)cc1C T33312
CS(O)(=O)=O.CCCCCCCCOc1ccc(N)cc1CSCC T33313
[Br-].CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc12 T33314
CN(C)CCN(Cc1cccs1)c1ccccc1 T33315
Cl.CN(C)CCN(Cc1cccs1)c1ccccc1 T33315L
Cl.CN(C)CCN(Cc1cccs1)c1ccccn1 T33316
Cl.CN1CCC(CN2c3ccccc3Sc3ccccc23)C1 T33319
C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(O)=O)C3CC2 T3332
C1N2CN3CN1CN(C2)C3.OC(C(O)=O)c1ccccc1 T33320
[Na+].[O-]S(=O)(=O)CI T33322
CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O T33323
CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O T33324
[Na+].CCC#CC(C)C1(CC=C)C(=O)[N-]C(=O)N(C)C1=O T33325
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O T33327
COCCC(N)C(O)=O T33328
O=C(C1=CC=CC(C)=C1)C2=CC=C(OC)C(C)=C2 T33329
[H][C@@]12C[C@H](O)[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)CC[C@@H](O1)C(C)(C)O)CC[C@H](O)C3(C)C T3333
COC(=O)Cc1cccc2ccccc12 T33330
COC(=O)c1cccc(O)c1 T33331
CCCCC\C=C\C\C=C\C\C=C\C=C\SCCCC(=O)OC T33332
[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(=O)OC)C(C)C T33333
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)[C@@H](C)CC\C=C(/C)C(=O)OC T33335
CC1CN1P1(=NP(=NP(=N1)(N1CC1C)N1CC1C)(N1CC1C)N1CC1C)N1CC1C T33336
CCCCCCCCCC(=O)OC T33337
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)C(=O)OC T33338
COC(=O)c1ccc2OCOc2c1 T33341
Cl.COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC T33342
CO[C@H]1[C@H](O)C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC T33342L
CCC(C)CCCCCCCCCCCCCCC(O)=O T33343
COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC1CCCCO1 T33344
COC(=O)CCCCCCCC(=O)c1ccc2cc3ccccc3cc2c1 T33345
[H+].[Ni++].CNCC(N)C([O-])=O.CNCC(N)C([O-])=O.CNCC(N)C([O-])=O T33346
C[As](O)(O)=O T33347
[2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H] T33348
CN(C(=O)NC(C)(C)c1ccccc1)c1ccccc1 T33349
COC(=O)[C@H](CCC(N)=O)NCCC(O)=[Se] T33355
OC[SiH](CO)OC(=O)[C@@H]1CCC(=O)N1 T33356
CSCc1ccccc1O T33357
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C(O)=O T33359
Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1 T3336
COc1cc(ccc1O)C(O)CNC(C)C T33361
CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1 T33362
COc1ccc(\C=C\C(=O)c2ccc(OC)cc2OC)cc1 T33363
COC1CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C(C1OC)C(=O)OC T33364
Cl.COC1CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C(C1OC)C(=O)OC T33364L
COc1ccccc1OC(=O)C(C)c1ccc(CC(C)C)cc1 T33365
CN(C)c1ccc(cc1)-c1nn(C)c(=O)nc1-c1ccc(cc1)N(C)C T33366
CSc1nnc(c(=O)n1N)C(C)(C)C T33367
Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T33368
CC(C)(C(O)c1cccnc1)c1cccnc1 T33370
CC1COC2(N1CC(=O)Nc1ccc(Cl)cc21)c1ccccc1Cl T33371
Fc1cccc(CN(CCCl)CCCl)c1 T33373
O=C(OCC=C)NC1=CC=CC(O)=C1 T33375
Oc1cccc(c1)S(Cl)(=O)=O T33376
Oc1cccc(CN2CCNCC2)c1 T33377
Cl.Cl.Oc1cccc(CN2CCNCC2)c1 T33377L
CC(N)C12CC3CC(CC(O)(C3)C1)C2 T33378
O[C@@H]1C[C@@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)C(=O)C1 T33379
C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O T3338
[H][C@@]12C[C@@]3(COC(C)=O)[C@]4([H])O[C@@]([H])(O[C@H]4O)C(=C)[C@]3([H])C[C@]1([H])C(=C)C(=O)O2 T33381
OC(=C)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O T33382
Cl.COc1ccc(OC)c(c1)[C@@H](O)CNC(=O)CN T33384
Cn1c2[C@@H]3C[C@@H]4CCCC[C@H]4CN3CCc2c2ccccc12 T33387
Cl.Cn1c2[C@@H]3C[C@@H]4CCCC[C@H]4CN3CCc2c2ccccc12 T33387L
COC(=O)[C@@H](N)Cn1ccc(=O)c(O)c1 T33388
Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c2c1 T33389
O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@H](CN12)[C@@H]34 T3339
O=[N+](C1=C2C=CC=NC2=C(SC3=NN=C(COC4=CC=CC=C4)N3C5=CC=CC=C5)C=C1)[O-] T33390
ClS(=O)(=O)c1cccc(I)c1 T33391
FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@H]2CC[C@@H](CC2)c2ccccc2)c1 T33393
OC(CN1C=CN=C1[N+]([O-])=O)COC T33395
COC1=CC(=O)c2c(O)c(C)c(OC)cc2C1=O T33396
CC(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 T33397
Cc1cccc(NC(=O)c2ccc(O)c(c2)C(=O)Nc2cccc(C)c2)c1 T33398
Cc1cccc(N[C](F)(F)(F)(=O)c2ccc(O)c(c2)[C](F)(F)(F)(=O)Nc2cccc(C)c2)c1 T33399
O=c1[nH]c(=S)[nH]c(\N=C\c2ccccc2)c1\N=C\c1ccccc1 T3340
CC(=C)c1cccc(C)c1 T33400
C[C@]12CC[C@@H]([C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@@]12C)C(=C)C(O)=O T33401
[Br-].OOB(O)c1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 T33403
COc1c(C)cc(N(CCCl)CCCl)c2ccccc12 T33405
COc1cc(CC=C)cc(OC)c1OC T3341
CCNNC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c1cc(OC)c(OC)c(OC)c1 T33411
[H][C@@]12CC[C@H](C(=O)c3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C T33414
COc1ccc(cc1C(=O)NCc1ccc(cc1)C(F)(F)F)C1SC(=O)NC1=O T33415
Cl.CC(C)CNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O T33416
COc1ccc2n(Cc3ccc(SC)cc3)c(C)c(C(C)C(O)=O)c2c1 T33417
COc1cc(O)c(C\C=C(\C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1 T3342
COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 T33421
[O-][n+]1cccc(c1)C#Cc1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 T33422
F[C@H]1C[C@](C1)(c1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1 T33423
OC(=O)[C@@H]1C[C@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 T33424
Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 T33425
COc1ccc(OCC(O)CNCCNCC(O)COc2ccc(OC)cc2)cc1 T33426
Cn1c(ncc1[N+]([O-])=O)-c1ccc(F)cc1 T33427
COc1cccc(NC2=C(CN(C)CCc3ccccc3)C(=O)CC(C)(C)C2)c1 T33428
C[C@@H]1CCCN1c1nc(cc(n1)-c1ccc(F)cc1)N1CCN(C[C@H]1C)c1ncc(cc1C)C(O)=O T33429
COc1cccc2oc(cc(=O)c12)-c1ccccc1 T3343
CC(C)(N)c1ccc(cc1)C(F)(F)C(F)(F)c1ccccc1 T33430
CN(C)CCN(C)C1COc2ccccc2-c2c(C3CCCCC3)c3ccc(cc3n2C1)C(O)=O T33432
O[C@@](C(=O)NCc1cc(ccc1F)C(F)(F)F)(c1ccccc1)C(F)(F)F T33433
Cn1c(ncc1[N+]([O-])=O)C1=NOC2CCCCC12 T33434
Nc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1 T33435
CN1CCC(CC1)=C1c2ccccc2CCc2ccc(cc12)C(O)=O T33436
CC(C)(C)NC[C@H](O)COc1ncccc1C#N T33437
NC(=O)[C@H]1CSCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCC(=O)N1 T33438
NNC(Cc1c[nH]cn1)C(O)=O T33440
CCCCC\C=C(\NC(=O)C1CC1(C)C)C(O)=O T33441
Cl.[H][C@@]12C[C@@]3(CCN(C)C(=O)N3C)CCN1CCc1c2oc2ccccc12 T33444
[H][C@]12O[C@@](CCCNC)(c3ccccc13)c1ccccc1C2OC(=O)\C=C/C(O)=O T33445
C[C@H](NC(=O)C(C)(C)Oc1ccc(C)cn1)[C@@H](Cc1ccc(OCCF)cc1)c1cccc(c1)C#N T33446
Cl.CC(C)(N)c1ccc(cc1)C(F)(F)C(F)(F)c1ccccc1 T33447
CC(CCCCCF)(C(O)=O)C(O)=O T33448
Cn1c2ncn(CC(O)COC(=O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O T33449
COc1ccc2[nH]cc(CCNc3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)c2c1 T33450
O=S(N1CCNCCC1)(C2=C3C=CC=C(I)C3=CC=C2)=O.[H]Cl T33451
Cc1nc(N2CCN(CC2)C(=O)c2ccco2)c2c3CCCCc3sc2n1 T33452
Cc1cc(ccc1-c1cc(n[nH]1)-c1ccc(F)cc1)C(F)(F)F T33453
CC(C)c1ccc(C)cc1OCCn1c(S)nc2ccccc12 T33454
CCC(N1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1 T33455
Cc1cccc(CC#N)c1 T33456
COc1ccc2C(=O)CC(O)(Oc2c1)C(F)(F)C(F)(F)F T33457
Cl.CCC12CC3CC(N)(C1)CC(CO[N+]([O-])=O)(C3)C2 T33458
Ic1ccc2\N=C(/CCC(=O)Nc2c1)c1cccc(c1)C#N T33459
Brc1ccc2NC(=O)CC\C(=N/c2c1)c1cccc(c1)-c1ccncc1 T33460
Nc1nc2n(CCN3CCN(CC3)c3ccc(OCCF)cc3)ncc2c2nc(nn12)-c1ccco1 T33461
Cl.CC(C)NCC(O)COc1cccc(c1C)[N+]([O-])=O T33462
CNCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O T33463
COc1ccccc1N1CCN(CC(O)COC2(CCCCC2)C#C)CC1 T33464
CCCCC\C=C/C\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1 T33465
COc1ccc2[nH]c(C)c(\C=C\C(=O)c3ccncc3)c2c1 T33467
[H][C@]12O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@](C)([C@]33CO3)[C@@]1(CO)CCC(C)=C2 T33468
C[C@H]1C(=O)O[C@@](C)(C(O)=O)[C@]1(C)O T33469
COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 T3347
CCCCCCCC(OCC(O)CO)=O T33470
NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O T33471
NCCO.CCCCCCCCCC(O)=O T33472
CCCCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 T33473
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCC(O)=O T33474
COC(=O)CCCCC(O)=O T33475
OOCCCCCCCCCC(O)=O T33476
[Na+].CC(=O)NC(CCC(O)=O)C([O-])=O T33477
Cc1ccnc(NC(=O)NS(=O)(=O)c2ccccc2C(O)=O)n1 T33478
Cc1c2c(ccc1)nc(n(c2=O)c1ccccc1C)Cn1c2c(cn1)c(ncn2)N T3348
C[C@H]1SC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O T33480
O=C(CN1CCOCC1)N1CN(C(=O)c2ccccc12)c1ccccc1 T33481
[Na+].CC1=NN(C(=O)C1\N=N\c1cc(Cl)cc(c1O)S([O-])(=O)=O)c1ccccc1 T33483
C1COCCN1.CCCCCCCCCC(O)=O T33485
CN(C)CCOC(C)(c1ccccc1)c1ccccc1 T33488
COc1cccc(c1)C(O)CC1CCCN1C T33489
OB1OCc2cc(F)ccc12 T3349
Oc1cccc(c1)S(O)(=O)=O T33491
COc1ccccc1N1CCN(CCN(C(=O)c2ccc([18F])cc2)c2ccccn2)CC1 T33493
CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O T33494
CCCOc1cc(OCCC)c2c(c1)oc(-c1ccccc1)c(OCCC)c2=O T33495
COc1ccc2OC(C#Cc3ccccc3)(C(O)C(=O)c2c1)c1ccccc1 T33496
COc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12 T33497
CCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12 T33498
CCCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12 T33499
CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1 T3350
CCOc1ccc(c(OCC)c1)-c1oc2cc(OCC)cc(OCC)c2c(=O)c1OCC T33500
CCOc1cc(O)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O T33501
Clc1c(oc2ccccc2c1=O)-c1ccccc1 T33502
CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1 T33503
CCCc1nc(-c2ccccc2)c(C(=O)OCC)c(CC)c1C(=O)SCC T33504
CCCOC(=O)c1c(CC)c(C(=O)SCCC)c(CC)nc1-c1cccc(Cl)c1 T33505
OCc1cnc(\N=N\c2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c2OP(O)(=O)OCc12 T33506
COc1ccc(c(OC)c1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC T33507
COc(cc1OC)cc(OC(c2ccccc2)=C2OC)c1C2=O T33508
CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O T3351
OC(COc1cccc2ncccc12)CN1CCN(CC1)C1c2ccccc2CCc2ccccc12 T33510
[H][C@]1(CO)O[C@@]([H])(n2cnc3c(NCC=C(C)C)nc(SC)nc23)[C@]([H])(O)[C@]1([H])O T33511
O=S(C1=CC=C(/N=N/C2=CC(C)=C(O)C(C)=C2)C=C1)(NC3=CC=C(C#N)C=C3)=O T33512
CCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)S(C)(=O)=O T33513
FC(F)(F)c1cc(NC2CC2)n2nc(NC(=O)c3cccnc3)nc2c1 T33514
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=O T33515
[Cl-].CSC[C@H]1C[NH+](Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O T33517
c1ccc(cc1)-c1cccc(c1)-c1ccccc1 T33518
[Na+].CSCCC(=O)C([O-])=O T33519
Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 T3352
CCCCCCCOc1ccc(N)cc1CS(C)(=O)=O T33520
CCCCCCOc1ccc(N)cc1CS(C)(=O)=O T33521
CS(O)(=O)=O.CCCCCCCCOc1ccc(N)cc1CSc1ccccc1 T33522
Cl.CCCCCCCCOc1ccc(N)cc1CSCCC T33523
CCCCCCCCOc1ccc(N)cc1CS(=O)(=O)c1ccc(C)cc1 T33524
CCCCOc1ccc(N)cc1CS(C)(=O)=O T33525
CCCCCCCCOc1ccc(N)cc1CS(=O)(=O)c1ccc(Cl)cc1 T33526
CCCCCCCCOc1ccc(N)cc1COc1ccc(N)cc1OC T33527
CCCCCCCCOc1ccc(N)cc1CS(C)=O T33528
CCCCCCCCCOc1ccc(N)cc1CS(C)(=O)=O T33529
Cl.NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 T3353
CCCCCOc1ccc(N)cc1CS(C)(=O)=O T33530
CCCCCCCCOc1ccc(N)cc1CS(C)(=O)=O T33531
CCCOc1ccc(N)cc1CS(C)(=O)=O T33532
Cl.CCCCCCCCOc1ccc(N)cc1COC T33533
CC(N1N=C(N)CC1=O)c1ccc(Cl)c(Cl)c1 T33534
Cc1cc(nnc1N1CCN(CC1)c1ncccn1)-c1ccccc1 T33535
C[C@H](O)[C@H](O)[C@](C)(O)CC=O T33536
Cl.CC1N(CC(=O)c2ccccc2)CCCC1(C)c1cccc(O)c1 T33539
CN(C1CCCCC1)C(=O)n1cnc(c1)-c1ccc[n+]([O-])c1 T3354
CCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O T33540
CCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C T33541
CCCCCCCCCCCCCCN[C@@H](CC(O)=O)C(O)=O T33542
CCCCCCCCCCCCCCOC(=O)CCCCCCCCC T33543
[H][C@@]12C[C@](C)(O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(OC)cc3CC[C@@]21[H] T33545
OC(=O)CC[C@H](NC(=O)CCC(O)=O)C(O)=O T33547
Cc1cc(C)cc(c1)C(=O)NCc1ccccn1 T33548
Cc1cc(C)cc(c1)C(=O)NCc1cccnc1 T33549
O=C(CCC#C)N[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O T33550
CCP(=S)(CC)N(C)C(=O)Oc1cccc(c1)C(C)C T33553
O=C1C=CC(=O)N1c1cccc(c1)N1C(=O)C=CC1=O T33554
NA T33555
CCN(CC)CCc1ccccc1 T33556
CCCCCCCCCC(=O)N(CCC)CCC T33557
OC(=O)C[C@H](NCCN[C@@H](CC(O)=O)C(O)=O)C(O)=O T33558
CCCCCCCC(=O)N[C@@H](CCCCN)C(O)=O T33559
Cn1c(NO)nc2ncc(cc12)-c1ccccc1 T33560
NCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O T33561
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=N/CCCC[C@H](N)C(O)=O T33562
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC=C)ncnc12 T33563
N[C@@H](CCCCNC(=O)CCC(O)=O)C(O)=O T33564
[H][C@]12Cc3ccccc3-c3c4OCOc4cc(CCN1C(C)=O)c23 T33568
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO T3357
CC(=O)N[C@@H](CS)C(O)=O.NCCCC[C@H](N)C(O)=O T33570
CC(=O)N[C@H](CCC(O)=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O T33571
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O T33572
[H][C@]12CN3CC[C@]([H])(O1)[C@]3([H])[C@H]2N(C)C(C)=O T33573
CC(C)C[C@@H](C(O)=O)NC([C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)NC(C)=O)=O T33574
CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C T33575
Cl.N[C@H](CNc1ccc([N+]([O-])=O)c2nonc12)C(O)=O T33577
Cl.CCCCCNCCOC(=O)c1ccc(N)cc1 T33578
CC1=NN(CCOc2ccc3ccccc3c2)C(=O)C1 T33579
Clc1ccc(C(=O)n2nnc3ccccc23)c(Cl)c1 T3358
CCC(CC)(C(O)=O)c1cccc2ccccc12 T33580
CC(C)(C)NCC(O)COc1ccc(O)c2C3CCC(CC3)c12 T33581
OC(Cn1ccnc1)c1ccc2ccccc2c1 T33582
CC(C)c1ccc(s1)C(\C)=C\c1ccc(cc1)C(O)=O T33584
CN(C)CCO.CCC(C(O)=O)c1ccc(cc1)-c1ccccc1 T33585
Cc1cn(c(C)n1)-c1cc(C)c2[nH]c(=O)ccc2c1 T33589
CS(O)(=O)=O.Cc1cn(c(C)n1)-c1cc(C)c2[nH]c(=O)ccc2c1 T33589L
Cl.CC(CCCc1ccccc1)Oc1cc2NC(C)C3CCC(O)CC3c2c(OC(C)=O)c1 T33590
[O-][N+](=O)c1cccc2c3C(=O)NC(=O)c(cc12)c3CCN1CCCCC1 T33592
Nc1ccc(c2ccccc12)S(O)(=O)=O T33593
CCN(CC)C(=O)[C@@H](C)Oc1cccc2ccccc12 T33594
C[C@@H](C1=CC=C2C=C(OC)C=CC2=C1)C(OCCCCO[N+]([O-])=O)=O T33595
Cl.CC1CN(C)CC2Cc3c(OC12O)ccc1ccccc31 T33596
CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O T33598
[Na+].COC(Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C([O-])=O T33598L
OC1=CC2=C(C=C1)CC[C@]3([H])[C@]2([H])OCCN3CCC.[H]Cl T33599
C1CN(CCN1CCOCCO)CC2=CC(=CC=C2)OC3=CC=CC=C3.Cl.Cl T3360
[H][C@]12O[C@]1([H])[C@]1([H])C[C@@]2([H])C[C@H]1c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 T33600
CCCCCC1(C)CC(CC(C)(C)N1[O])NC1=CC=C(C2=CNON12)[N+]([O-])=O T33602
[Li+].CC1(C)[C@@H]2C[C@H]1[C@H](CCOCc1ccccc1)[C@H](C2)[BH-]1[C@H]2CCC[C@@H]1CCC2 T33603
OC(=O)CNC(=O)OCc1ccccc1 T33604
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(N)=O T33605
CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC T33606
CCCC(CCC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23 T33607
N[C@@H](CC(=O)Nc1ccc-2c(Cc3ccccc-23)c1)C(O)=O T33608
CCCCOCC(=O)N[C@@H](CCC(N)=O)C(O)=O T33609
CC(C)OC(=O)Nc1ccc2nc([nH]c2c1)-c1cscn1 T3361
CC(O)=O.N=C(NC(c1ccccc1)c1ccccc1)Nc1ccc(cc1)C#N T33610
CCOC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T33611
COC(=O)N[C@@H](CC(C)C)C(O)=O T33612
Cc1c(nc2ncccn12)-c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 T33613
CCCCCCCCCC(=O)NO T33614
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 T33615
C[n+]1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1 T33617
OC(CC1CCCCN1)(P(O)(O)=O)P(O)(O)=O T33618
OP(O)(=O)C(Cc1cccnc1)P(O)(O)=O T33619
COc1c(cc(cc1)c1cc(=O)c2c(c(c(cc2o1)O)OC)O)OC T3362
CC1CCCN=C1NC(P(O)(O)=O)P(O)(O)=O T33620
Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O T33621
NCC1CN(Cc2ccccc2)C(=O)C1 T33622
Oc1cc2oc(=O)ccc2c2nnc3ccccc3c12 T33623
OC(=O)\C=C/C(O)=O.CN(C)CC\C=C1\c2cccn2CCc2ccc(Cl)cc12 T33625
CC(C)[C@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]12 T33627
OC[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]2CO[C@H]([C@@H]2O)[C@@H]1O)[C@@H](O)C=O T33628
N#C[C@@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O1)O)O)O)C3=CC=CC=C3 T33629
[H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C T3363
[NH4+].[O-]N(N=O)c1cccc2ccccc12 T33630
Cc1ccc2ccc3ccc(C)nc3c2n1 T33631
O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O T33632
Nc1nc(=O)c2nc(cnc2[nH]1)[C@@H](O)[C@@H](O)CO T33634
CCN(CC)C(=O)c1ccccc1C(=O)N(CC)CC T33636
Nc1ccc(cc1)[Sb](O)(O)=O T33637
[I-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C T33638
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NCCC(C)(C)C T33639
Cl.[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)O2 T3363L
[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])Cc1c2ccc([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)c1C T3364
CCN(CC)CCOC(=O)C(C1CCC=C1)c1cccs1 T33640
CON1c2ccccc2C2(CC(O)C(=O)N3\C(=C/c4c[nH]cn4)C(=O)NC123)C(C)(C)C=C T33641
[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])C[C@@H](O)[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)C[C@@H](O)[C@]21C)C(=C)CO T33642
CC1CCC2C1C(=O)OC=C2C T33643
OC(=O)c1ccccc1C(=O)N1CCSC1 T33647
Cn1c2ncn(CC3SCCS3)c2c(=O)n(C)c1=O T33648
CCCCCCCCCC(=O)N(C)CCO T33649
COC(=O)[C@]1(C)C[C@H]2[C@@](C)(CC(C)=C3C4=CC=C5C(C)=C(O)C(=O)C=C5[C@@]4(C)CC[C@@]23C)[C@@H](O)[C@H]1O T33650
CN(CC1)CCN1C(N=C2)=NC=C2C3=NC=C4C(N=CC=C4NC5=NC=CN=C5)=N3 T33651
CCN(CC)c1ccc2c(-c3ccc(OC)cc3)c(C=O)c(=O)oc2c1 T33655
CO[C@H]1[C@H](O)[C@H](N)[C@H](O[C@H]2O[C@H](CC[C@H]2N)[C@@H](C)N)[C@H](O)[C@H]1N(C)C(=O)CNC=O T33657
COC(=O)c1c(C)nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c1-c1cccc(c1)[N+]([O-])=O T33659
COC1=C[C@]23CCCN2CCc2cc4OCOc4cc2[C@@H]3[C@@H]1O T3366
Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccnc1 T33660
S=C(N/N=C/C1=CC=CN=C1)N T33661
NC(=O)c1cccnc1.OC[C@H](O)[C@H]1OC(=O)C(O)=C1O T33662
[O-]S(=O)(=O)C(F)(F)F.NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T33663
O=C(C1=CC=CN=C1)NC2=NC=CC=C2 T33664
O=C(NCCCCCOC1=CC=C(N)C=C1)C2=CN=CC=C2 T33665
Cl.FC(F)Oc1cccc(NC(=O)c2cccnc2)c1 T33666
[O-][N+](=O)c1ccc(o1)C(=O)CCl T33668
CN1CCN(CC(=O)N\N=C\c2ccc(o2)[N+]([O-])=O)CC1 T33669
[H][C@@]12CC[C@]3(O)C[C@@H](O)CC[C@]3(C=O)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1 T33670
NC(C1O[C@@H]([C@@H](O)[C@H]1O)n1ccc(=O)[nH]c1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O T33671
CCCOCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCOCCC T33673
[H][C@@]12CCc3cc(C(C)=O)c(OC)cc3[C@@]1(C)CCCC2(C)C T33675
CC(C)(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O T33676
COC[C@@H]1Cc2cc3OCOc3c(OC)c2[C@@H]([C@H]1COC)c1ccc(OC)c(OC)c1 T33679
CCC(C)C(C)(COC(N)=O)COC(=O)NC(C)C T33680
CCCCCCCCCC(=O)NCC(C)C T33681
CC(C)CC(=O)N[C@@H](CCC(O)=O)C(O)=O T33682
CC1(C)CCC(CC1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 T33683
C[C@H](Nc1ccc([N+]([O-])=O)c2nonc12)C(O)=O T33685
N[C@@H](Cc1cc(ccc1CN(CCCl)CCCl)[N+]([O-])=O)C(O)=O T33686
[O-][N+](=O)c1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1 T33687
CC(=O)Nc1ccc(OC(=O)CCCO[N+]([O-])=O)cc1 T33689
COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1OC)c23 T3369
[O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1 T33690
Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N(N=O)[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 T33691
Cc1cccc(c1C)[N+]([O-])=O T33692
CCN1C(=S)O\C(=C/C=C/C=C2\C=CN(CCCS(O)(=O)=O)c3ccccc23)C1=O T33694
Cl.CN1C2CCC1CC(C2)Oc1ccccc1 T33696
Cl.CC(C)(N)Cc1cc2ccccc2[nH]1 T33697
Cl.[O-][N+](=O)c1nccn1CCCNc1c2ccccc2nc2ccccc12 T33698
Cl.[O-][N+](=O)c1nccn1CCCNc1ccnc2cc(Cl)ccc12 T33699
[Br-].[O-][N+](=O)c1nccn1CCC[n+]1cc2ccccc2c2ccccc12 T33700
COc1cc(O)c2c(c1)cc(oc2=O)C(C)C(O)=O T33701
OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CS T33702
CCN1CCCC1CN(C)C(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC T33703
CCN(CC)C(=S)N\N=C1/C(=O)N(C)c2ccccc12 T33704
CCN(N=O)[C@@H](C)Cc1cccc(c1)C(F)(F)F T33707
CN(CCC(C)=O)N=O T33708
N[C@@H](C(=O)N[C@H]1CN([C@@H](C(O)=O)c2ccc(O)cc2)C1=O)c1ccc(O)cc1 T33709
[H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(O)=O T3371
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O T33710
CNC1CCc2c(C1)ccc(OC(=O)C(C)C)c2OC(=O)C(C)C T33711
Cl.CNC1CCc2c(C1)ccc(OC(=O)C(C)C)c2OC(=O)C(C)C T33711L
CCCCCCCCC(OC(C)=O)OC(C)=O T33714
OC(=O)CC[C@H](NC(=O)c1cncc(O)c1)C(O)=O T33715
[Na+].CN(CC(O)C(O)C(O)C(O)CO)C([S-])=S T33716
OCC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 T33717
[H][C@@]12CC[C@](O)(CC)[C@@]1([H])CC[C@]1([H])[C@@]3([H])CC[C](=O)(CC)C=C3CC[C@@]21[H] T33718
OC(CNC1CCC1)c1ccc(O)c(O)c1 T33719
[H][C@@]12Cc3cc(OC)c(OC)cc3CN1CCc1cc(OC)c(OC)cc21 T33721
CC(C)NC(C)C(O)c1ccc(O)c(O)c1 T33722
O=C(C1=CC2=CC=CC=C2S1)NCCCN3CCN(C4=CC=CC(Cl)=C4Cl)CC3 T33723
N[C@@H](CCC(O)=O)C(O)=O.CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 T33724
[H][C@@]12CC[C@](O)(C#C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] T33725
COc1ccc(\C=C/C)c(OC)c1 T33728
C\C=C(/C)C(=O)OC(C)(C)[C@@H]1Cc2c(O1)ccc1ccc(=O)oc21 T3373
OC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 T33730
OC(=O)CC[C@H](NC(=O)c1ccccc1C(O)=O)C(O)=O T33731
OCCN1CCCCC1 T33732
CC(C)C[C@H](NC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)C(O)=O T33733
NC(=N)NCCCC(=O)N1CCCC(C1)C(=O)NCCC(O)=O T33734
O\N=C1/C(=O)Nc2c1cc(-c1ccc(Cl)cc1)c1CCCCc21 T33735
FC(F)(F)c1ccc(Cl)c(NC(=O)COc2cccc(Cl)c2Cl)c1 T33736
COc1cc(ccc1N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T33739
C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 T3374
Oc1cc(ccc1NC(=O)Nc1ccccc1)[N+]([O-])=O T33740
CCc1c(CNc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc2nc(N)nc(N)c12 T33742
CCc1c(O)c2C(=O)c3cc(O)c(C(O)=O)c(C(O)=O)c3C(=O)c2c(O)c1C(C)=O T33743
ClC1=C(N2CC2)C(=O)C(Cl)=C(N2CC2)C1=O T33744
[H][C@@]12COC[C@@]1([H])[C@@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@@H]2Nc1ccccc1 T33746
COc1cccc2c1n(C)c1OC(Cc1c2=O)C(C)C T33748
NC(=S)NN\C=C1\C=CC(=O)C=N1 T33749
CN(Cc1nc2nc(N)[nH]c(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T33750
O=C(NC1=CC=CC(C(F)(F)F)=C1)COC2=CC=C(Cl)C=C2C T33752
CCCCCCCCCCSCC(CO)NC(=O)\C=C\c1c(C)[nH]c(=O)[nH]c1=O T33753
Oc1c(CN2CCCCC2)ccc2cccnc12 T33754
CC(=O)N1c2ccccc2Sc2ccc(cc12)C(C)=O T33755
Cc1cc(on1)-n1c(\C=C\c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O T33757
OC(=O)CCc1cccc(c1)N(CCF)CCCl T33758
C[C@@H]1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@]1(C)O)[C@@H]23 T33759
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O T3376
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T33760
Fc1cccc(CSc2nc(C3CC3)c(C#N)c(=O)[nH]2)c1F T33763
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 T33764
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F T33765
[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC=C3C[C@H](CC[C@]43C)OC(C)=O)=C1C)O2 T33767
CC([C@H]1CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](OCC=C)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O T33768
COc1ccccc1C(=O)NCCCCCOc1ccc(N)cc1 T33769
c1ccc(cc1)C[C@@H](C(=O)O)N T3377
[O-]S(=O)(=O)OS([O-])(=O)=O.O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 T33770
[H][C@]12[C@H]3C(C[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]12C)OC(=O)C3=C T33772
[H][C@]12[C@H]3C(C[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]12C)OC(=O)[C@@]31CO1 T33773
[H][C@]12[C@H]3C(C[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])C(=O)C[C@@]12C)OC(=O)C3=C T33774
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2C[C@@H](C)OC(=O)c2c1O T33775
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cl)c2CC(C)OC(=O)c2c1O T33776
CCN(CC)C(C)CC(=O)Nc1ccccc1 T33777
Cl.CCN(CC)C(C)CC(=O)Nc1ccccc1 T33777L
CC(C)CCCC(C)NCCC(C)C T33778
CCCCCCCCCC(=O)OCCCCCCCC T33779
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@H]2O T3378
NC(=O)c1ccc(Oc2ccc(CNCCC3CCOCC3)cc2F)nc1 T33780
CN(C)CCN1c2ccccc2S[C@H]([C@@H](O)C1=O)c1ccc(O)cc1 T33781
Cl.CN(C)CCN1c2ccccc2S[C@H]([C@@H](O)C1=O)c1ccc(O)cc1 T33781L
Cc1nnc2sc(C(=O)NCc3ccc(O)c(F)c3)c(N)c2c1C T33783
[H][C@@]12OC(=O)[C@@]3(C)CCC[C@](C)(C4=CC(=O)O[C@H](OC)C4=C1)[C@@]23[H] T33784
[Na+].[O-]C(=O)CNC(=O)c1ccccc1I T33785
[H][C@]12O[C@]3([H])[C@H](C)C[C@H](C)CCC[C@@]4([H])C=C([C@@H](C)C[C@@]14OC(=O)[C@@]2(C)C(=O)C3=C)C(O)=O T33786
F.F.CCCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO T33787
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O T33788
CCCCCCCC\C=C/CCCCCCCC(=O)N1CCC[C@H]1C(O)=O T33789
CCCCCCCCCC(O)=O T3379
CCCCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCCCC T33790
CCCCCCCCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCCCC T33791
CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 T33792
CN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O T33793
C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](N)C(O)=O T33794
CN1C(Nc2ccc(OCCN3CCCCC3)cc2)c2ccccc2C1=O T33796
COP(=S)(OC)SC(C(=O)OC(C)C)c1ccccc1 T33797
[Na+].CC(C)C12OC1C1OC11C3(OC3CC3C4=C(CCC13C)C(=O)OC4)C2OC(=O)CCC([O-])=O T33798
CC(=O)O\C=C\C(\C=O)=C/CC1C(=C)CCCC1(C)C T33799
C[C@H](O)[C@H](O)c1cnc2[nH]c(NCCCN)nc(=O)c2n1 T33800
NCCCC[C@H](NSc1ccccc1[N+]([O-])=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O T33801
Unknown T33803
COC(=O)c1c(C)nc(C)c(C(O)=O)c1-c1ccccc1[N+]([O-])=O T33804
COc1ccc(cc1OC)C(=O)N1CCN(C=C1)c1ccc2NC(=O)CCc2c1 T33805
COc1cccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)c1 T33806
CC\C=C/C[C@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O T33808
CCCCCc1ccccc1O T33809
COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(c(c2O)OC)O)OC T3381
Nc1ccc(OCCCCCOc2ccc(N)c(N)c2)cc1N T33810
COc1ccc2C(O)C3N(CCc4cc5OCOc5cc34)Cc2c1OC T33811
NCC(CC[C@H](N)C(O)=O)OP(O)(O)=O T33812
CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O T33813
Cl.CN1C2CC[C@H]1c1sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c1C2 T33815
CCN1CCC(CC1)c1cccc(c1F)S(C)(=O)=O T33816
Oc1cc[n+]([O-])c(c1O)-c1c(O)c(O)cc[n+]1[O-] T33817
CCN(CC)C(=O)Cn1cc(cc1[N+]([O-])=O)[N+]([O-])=O T33818
[H][C@@]12C[C@@H](CC)[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] T33819
C[C@]12C[C@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2 T3382
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1 T33824
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)OC[C@]12C T33826
O=C(C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1)O.[H]Cl T33827
N[C@@H](CCOC(=O)CCC(O)=O)C(O)=O T33828
COc1c2C[C@H](Oc2cc2oc(CO)cc(=O)c12)C(C)(C)O T3383
Cl.Cl.Cc1cc(OCCCCCOc2ccc(N)c(C)c2)ccc1N T33830
C\N=C(\NC[C@H]1CC[C@@H](O1)c1cnc[nH]1)NC#N T33831
Cn1cnc(S)c1C[C@H](N)C(O)=O T33832
CN(C)[C@@H](Cc1c(S)ncn1C)C(O)=O T33833
CCN(CC)CCOc1cc2oc(=O)cc(C)c2cc1OCCN(CC)CC T33835
COC1(CCCN2CC(N=C12)c1ccccc1)OC T33836
OC(=O)C(=O)Nc1ccccc1 T33837
[I-].C[N+](C)(C)CC1COCO1 T33838
COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1 T3384
[IH-].CN1\C(Oc2ccccc12)=C\c1cc[n+](C)c2ccccc12 T33840
CS(=O)CC(=O)c1ccccn1 T33841
[H][C@@]12CC[C@@](O)(C=C=C)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] T33842
CC(C)NCC(O)COc1ccccc1OCC=C T33843
CN1CCCC(C1)OC(=O)C(O)(C1CCCCC1)c1ccccc1 T33844
[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 T33846
COc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 T33848
CN1C(=O)C(S\C1=C/C(O)=O)N1CCCCC1 T33851
FCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)NCN1CCOCC1 T33852
CCCCCCCC\C=C\CCCCCCCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O T33854
CCN(CC)CCOc1c(C)cc(cc1C)[C@@H](Cc1ccc(OC)cc1)c1ccccc1 T33855
[O-]P([O-])(=O)OCCCCCCOC(=O)C=C T33856
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O T33857
Oc1ccc(\C=C\C(=O)NCC#C)cc1O T33858
CC(=O)Nc1ccc(C)cc1 T33859
[H][C@]12C[C@](C)(Cl)[C@@H](Br)C[C@@]11C(C)(C)[C@@](Br)(O2)C=C[C@@]1(C)O T33860
CCCCCOC(=O)c1ccc(cc1)N(C)C T33863
Cl.CCC(N)Cc1c[nH]c2ccc(F)cc12 T33864
CCCCCCCCCCCCCCCC(N[C@H](C(O)=O)C)=O T33866
CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)CC)C(O)=O T33867
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O T33868
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCS)C(O)=O T33869
CCCCCCCCCCCCCCCC(=O)OC(C)C(O)=O T33870
CCCCCCCCCCCCCCCC(=O)O[C@@H](C)C(O)=O T33871
Nc1nc(N)c2cc(NCc3ccc(Cl)c(Cl)c3)ccc2n1 T33872
[Na+].NCCC(O)(P(O)(O)=O)P(O)([O-])=O T33873
Cl.Cl.NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1 T33874
COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(O)c1 T33875
OCCNCCOc1ccc(cc1)C(=C(/c1ccccc1)C(F)(F)F)\c1ccccc1 T33876
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O T33877
CC(C)(CO)[C@@H](O)C(=O)NCCS(O)(=O)=O T33878
O=C(C1=NC=CC2=C1C=C(OC)C(OC)=C2)C3=CC=C(OC)C(OC)=C3 T33879
COc1ccc(cc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O T3388
CC(=O)N[C@@H](CS)C(=O)Oc1ccc(NC(C)=O)cc1 T33881
CC[C@]1(C)OC(=O)N(C)C1=O T33882
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)COC(C)=O T33883
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C T33883L
[H][C@@]12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCCC(C)C T33884
[H][C@@]12CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC=C(C)C)OC(C)=O T33885
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C=C(CN2C)C(O)=O T33886
[H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@H](CC[C@@]3(C)[C@]1([H])CC2)C(C)(C)O T33887
C[C@H]1O[C@@H](O[C@H]2C[C@](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(C=C2)C#N)[C@H](O)[C@H](O)[C@H]1O T33888
C[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3(CC(O)C=C3)C#N)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O T33889
[Na+].[Na+].COc1ccc2[nH]c(cc(=O)c2c1P([O-])([O-])=O)-c1cccc(F)c1 T3389
CNc1ccc(\C=C\C=C\c2nc3ccc(O)cc3s2)cn1 T33890
CN(C)c1ncnc2n(CCCCCOC(=O)N[C@H](CCCNC(N)=N)C(O)=O)cnc12 T33891
CC(=O)OC1=C(Oc2cc3ccccc3cc2-n2cccc12)c1cccc2ccccc12 T33892
Cl.CN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 T33895
Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)cc1Cl T33896
CC(=O)OCc1ccc(Cl)cc1 T33897
CC(C)c1ccc(OC(C)=O)cc1 T33898
N[C@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T33899
C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2c1ccoc1 T3390
Cc1ccc(cc1)-n1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 T33900
Cc1cc(I)ccc1Nc1c(F)c2[nH]cnc2cc1C(=O)NOCC1CC1 T33902
NNC(=O)CCSSc1ccccn1 T33904
Br.[H][C@@]12C[C@@]3([H])C[C@@](O)(C1)C[C@@]([H])(C2)[C@H]3Nc1c(cnc2[nH]ccc12)C(N)=O T33905
OP(O)(=O)CCOCCOCCP(O)(O)=O T33906
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/c1ccc(cc1)C(O)=O T33908
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O T3391
CC(=O)N[C@@H](CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(O)=O T33912
NA T33913
CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1 T33918
[S-]C#N.COc1cc(\C=C\C(=O)OCC[N+](C)(C)C)c(OC)cc1O T3392
[Ca++].CCCC(C)C1(CC)C(=O)NC([O-])=NC1=O.CCCC(C)C1(CC)C(=O)NC([O-])=NC1=O T33921
OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O T33922
CCCCCOC1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O T33923
CCCCCSC[C@H](NC(C)=O)C(O)=O T33924
C(CN1CCCCC1)OC(c1ccccc1)c1ccccc1 T33927
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)F T33928
CC(C)c1ccc2c(CC[C@H]3C4=C(CC[C@]23C)C(=O)OC4)c1O T3393
Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccccc1 T33930
[H][C@]12Cc3c([nH]c4ccccc34)[C@]3([H])C[C@]([H])(C1C(=O)OC)\C(CN23)=C/C T33935
COc1ccc2Sc3ccccc3N(CC(C)CN3CCC(O)CC3)c2c1 T33936
CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12 T33937
CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12 T33940
CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 T33941
C[C@H](O)CNc1nccc(n1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1 T33942
Cn1nccc1-c1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1nccs1 T33943
C[C@@H]1CNS(=O)(=O)N(C1)c1ccc2c(nccc2c1)C#N T33944
Cl.Cl.Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 T33945
Fc1cc(ccc1C#N)-c1c2C(=O)N(CCn2c2cccnc12)C1CC1 T33947
C#CC1=CC(COC2=C(C(N)=CC(N)=C3)C3=CC=C2)=CC=C1S(=O)(F)=O.O=C(O)C(F)(F)F T33948
O=C(C1=CN(CC2=CC=C(C3=NN(C)C=C3)C=C2)C4=CC=CN=C41)N[C@@H]5[C@@H](O)COCC5 T33949
Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O T33950
COc1cc(cc2OCOc12)-c1cccc2C(=O)N3CC(Cc4ccccc4)N(CC3Cc12)C(C)=O T33951
OC(=O)c1cc(c(Cl)cc1NCc1ccco1)S(=O)(=O)Nc1ccccc1 T33952
O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(cn3)C#C)c2)CC1 T33953
C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 T33954
Clc1ccc2N(CC3(CCNCC3)c2c1)c1nc[nH]c2nccc12 T33956
C#CC1=CC(OC2=CC=C(C3=NN(CCCCP(OCC)(F)=O)C4=NC=NC(N)=C43)C=C2)=CC=C1 T33957
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(O)cc23)c1C T33959
Cl.CC(C)CCOC(=O)[C@@H](N)c1ccccc1 T33961
CCOC(=O)[C@H](CCSC)NC(=O)Cc1ccc(cc1)N(CCCl)CCCl T33962
Fc1c(F)c(F)c2c(c1F)c(F)c(F)c1c(F)c(F)c(F)c(F)c21 T33963
[Na+].[Na+].Oc1ccc(cc1NCS([O-])=O)[As](O)([O-])=O T33967
Clc1ccccc1C[C@H]1NC(=O)C[C@@H]1c1ccccc1 T33968
COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1 T33971
Cl.CC(C)NCC(O)Cc1cccc(Cl)c1 T33972
CCCCCCCCCC(=O)OCCc1ccccc1 T33973
O=C(Cc1ccccc1)OCCc1ccccc1 T33974
CCC(=O)OCCc1ccccc1 T33975
CC(N)C(C)c1cccc(Cl)c1 T33976
Cl.CCN(CC)CCC1(CCC(=O)NC1=O)c1ccccc1 T33977
OC(C(O)C(O)=O)C(O)=O.CN1CCC2=C(C1)C(c1ccccc21)c1ccccc1 T33978
COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O T3398
Cc1c(Cl)ccc(O)c1Cl T33980
CCCC1(CCN(C)C1C)c1cccc(O)c1 T33981
CC(=O)OCCOc1cccc(O)c1 T33982
[Na+].Cc1cccc([O-])c1 T33983
Cc1cc(O)ccc1\N=N\c1ccccc1 T33984
O=S1(OC(C2=CC=C([O-])C=C2C)(C3=CC=C(O)C=C3C)C4=CC=CC=C41)=O.[Na+] T33985
O.Cl.CC(C)C1(CCN(CCc2ccc(O)cc2)C1)c1cccc(O)c1 T33986
CCCC1(CCN(C)C1C)c1cccc(OC(C)=O)c1 T33987
Cl.CN1CCC(C)(C1)c1cccc(OC(C)=O)c1 T33988
CCCN1CCC(CCC)(C1)c1cccc(OC(C)=O)c1 T33989
CC(=CCc1c(cc2c(c1)c1c(c3c(o1)cc(cc3)O)c(=O)o2)O)C T3399
Oc1cccc(c1)C1SCCS1 T33990
CCCC1(CN(C)CC1C)c1cccc(O)c1 T33991
CCCC1(CC(C)N(C)C1)c1cccc(O)c1 T33992
CCCC1(CC(C)N(C)C1)c1cccc(OC(C)=O)c1 T33993
Br.CC1N(CC=C)CCCC1(C)c1cccc(O)c1 T33994
CCC(C)CC1(CCN(C)C1)c1cccc(O)c1 T33995
CN1CCC(CC(C)(C)C)(C1)c1cccc(O)c1 T33996
Cl.CCC(=O)C1(CCN(C)C1)c1cccc(O)c1 T33997
CCCC1(CCN(C)C1)c1cccc(OC(C)=O)c1 T33998
CCCC(=O)Oc1cccc(c1)C1(CCC)CCN(C)C1 T33999
CC(C)=CCC[C@@](C)(C=C)\C=C\c1ccc(O)cc1 T3400
CCCC1(CCN(C)C1)c1cccc(OC(=O)C(C)C)c1 T34000
CN(C)CC1CCCC1(O)c1cccc(O)c1 T34001
Br.CCCN(CCC)CCc1cccc(O)c1 T34002
Cl.CNCCc1cccc(O)c1 T34003
OC(=O)\C=C\C(O)=O.CCN(CCc1ccccc1)CCc1cccc(O)c1 T34004
Br.CN(CCc1ccccc1)CCc1cccc(O)c1 T34005
Cl.Oc1cccc(CCNCCc2ccccc2)c1 T34006
CCCC1N(C)CCC1(CCC)c1cccc(O)c1 T34007
CCCC1N(C)CCC1(CCC)c1cccc(OC(C)=O)c1 T34008
CCCC1(CCN(C)C1CC)c1cccc(O)c1 T34009
CCCC1(CCN(C)C1CC)c1cccc(OC(C)=O)c1 T34010
CCc1cccc(OC(C)=O)c1 T34011
Oc1ccc(Cl)c(c1)C(F)(F)F T34012
N[C@@H](Cc1ccc(Oc2ccc(cc2)N(CCCl)CCCl)cc1)C(O)=O T34014
O=C(Oc1ccccc1)c1cccnc1 T34017
N[C@@H](Cc1ccccc1)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T34018
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T34019
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O T34020
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O T34021
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O T34022
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(O)=O T34023
CCC(=O)O[Hg]c1ccccc1 T34024
CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCCCCNCCCNC(N)=N T34026
[2H]C([2H])([2H])n1c(N)nc2ncc(cc12)-c1ccccc1 T34027
COP(=O)(OC)SCN1C(=O)c2ccccc2C1=O T34029
CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O T3403
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)=O)O2)c(=O)[nH]c1=O T34031
[Ca++].NCCOP([O-])([O-])=O T34032
OC(=O)[C@H](Cc1c[nH]cn1)NP(O)(O)=O T34033
CCOP(=O)(OCC)Oc1ccc(c(C)c1)[N+]([O-])=O T34034
COP(=S)(OC)SCCSC T34035
CCCCSCCSP(=S)(OCC)OCC T34036
CCOP(=S)(OCC)Oc1cccc(c1)S(=O)(=O)N(C)C T34037
COP(=S)(OC)Oc1cccc(c1)S(=O)(=O)N(C)C T34038
CCOP(=S)(OCC)O\N=C(\C#N)c1ccccc1 T34039
[Li+].Nc1ccc(OCCCCCNC(=O)c2ccccc2C([O-])=O)cc1 T34040
CS(O)(=O)=O.Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 T34041
CS(O)(=O)=O.Nc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 T34042
COCOc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T34043
Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(Cl)c1 T34044
CCOc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T34045
CCCOc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T34046
CS(=O)(=O)Cc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T34047
Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(CO)c1 T34048
COCc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T34049
CCCCC[C@@H](CC(=O)CCc1cc(c(cc1)O)OC)O T3405
Cc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O T34050
Nc1ccc(OCCCCCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1 T34051
Nc1ccc(OCCCCCCCN2C(=O)c3ccccc3C2=O)cc1 T34052
CC(N1C(=O)c2ccccc2C1=O)\C(\C=N\NC(N)=S)=N\NC(N)=S T34054
COc1c(O)c(C2CCCN2C)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1 T34058
Clc1cccc(Cl)c1N(C1CCCCO1)C1=NCCN1 T34059
[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O T3406
Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl T34060
Cc1cc(C)cc(c1)C(=O)NCc1ccncc1 T34061
C(CN1CCCCC1)N(Cc1ccccn1)c1ccccc1 T34062
CC(=O)Nc1ccc(OC(=O)[C@@H]2CCC(=O)N2)cc1 T34063
[Na+].[Na+].Cc1ccc(\N=N\c2c(O)c(cc3ccccc23)C([O-])=O)c(c1)S([O-])(=O)=O T34065
NNC(N)=N T34066
O=C1CC(C)C(C2=CC=C3C(N=C(C4=CC=C(OC)C=C4)N3)=C2)=NN1 T34067
O=C(OCCOCCN1CCCCC1)N1c2ccccc2Sc2cccnc12 T34068
C1CNCCN1.OC(=O)CCCCCCCCC(O)=O T34069
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O T3407
[H][C@]12OC1(C)CCC(=C(C)C)C2=O T34070
Cl.CN(CCC(=O)\C=C\c1ccc(O)cc1)CCc1ccc2OCOc2c1 T34071
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CCO)CC3)c2c1 T34072
COc1ccccc1N1CCN(CC(O)c2ccc(O)c(O)c2)CC1 T34073
[Br-].CC(C)CCCC(C)CC[N+]1(CC=C)CCCCC1 T34074
CCOC(=O)\C=C1/SC(N2CCCCC2)C(=O)N1CC T34076
CCOC(=O)\C=C1/S[C@H](N2CCCCC2)C(=O)N1CC T34077
Cl.COc1cc2ncnc(N3CCN(CC3)C(=O)OCC(C)C)c2cc1OC T34078
CC(O)=O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1 T34079
COc1cc(\C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T3408
Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccc(CO)n1 T34080
COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)cco3)c2c1 T34081
NA T34083
CCC1CC(C)C(=O)\C=C\C=C\CC(C)OC(=O)CC(O)C(OC)C1O T34085
CC(C)=CCC\C(C)=C\CC\C(CO)=C\CC\C(C)=C\CO T34087
Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(o3)-c3ccc(Cl)c(c3)C(O)=O)C2=O)cc1 T34089
Unknown T34090
COc1ccc(\C=C\C(C)=O)cc1 T34091
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC\C(=C\C)C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C T34092
OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O T34093
NN\N=C\NNCC(O)=O T34094
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(F)c1)-n1ccnn1 T34095
NN\N=C\N(N)CC(O)=O T34096
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N(CCO)CC(O)=O)c(F)c1 T34097
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N(CCO)CCO)c(F)c1 T34098
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(NCC(O)=O)c(F)c1 T34099
CC(C)N(CC[C@H](c1ccccc1)c1cc(ccc1O)C(O)=O)C(C)C T34100
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1CC=C(C)C T34102
O=C(O)[C@H](C)N T34103
OCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c1ccc(cc1)C(O)=O T34104
NC(CC[C@H](N)C(O)=O)=O T34105
CCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(O)CO T34106
CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(N)(=O)=O T34107
OCCCCO.O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1 T34108
OCCO.O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1 T34109
CC(C)[C@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O T3411
[Na+].[Na+].Cc1ccc(\N=N\c2c(O)c(cc3cc(ccc23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 T34110
CCOC(=O)C1=CC=CC2[O](Cl)C[O](C)c3cc(Cl)ccc3\C=C1\2 T34111
COC1=C(C[C@@](O)(CO)C\C1=N/[C@@H]([C@@H](C)O)C(O)=O)NCC(O)=O T34113
CC(C)C[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O T34114
OC[C@H](O)C(=O)N1CCC(=CC1)c1c(F)cc(cc1F)N1C[C@H](COc2ccon2)OC1=O T34115
[K+].CCCCCCCCCC([O-])=O T34116
CCOc1ccc(N)cc1OC T34117
COc1cc(N)ccc1OC(C)Oc1ccccc1 T34118
CC(OCCCCCC)(OCCCCCC)C1=CC=[N+](CCCS([O-])(=O)=O)C=C1 T34119
OCCc1ccc(O)c(O)c1 T3412
COc1cc(NCCCN)c2[nH]c(=O)cc(C)c2c1Oc1cccc(c1)C(F)(F)F T34120
CC(C)NC1CCC(CC1)(c1ccccc1)c1ccccc1 T34121
[H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(COC(=O)CC)c1ccccc1)N2C T34122
Fc1ccccc1C1=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 T34123
CC(C)[N+](C)(C)CC(O)COc1cccc2ccccc12 T34124
[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T34127
CC(C)C[C@H](CNC(=O)O[C@H](C)OC(=O)C(C)C)CC(O)=O T34128
CC(C)=CCSC[C@H](N)C(O)=O T34129
COc1c2C[C@H](Oc2cc2oc(C)cc(=O)c12)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T3413
CCCCCCCCCC1CC(O)C(Cc2ccccc2)N1C T34131
CC(O)C(O)c1cnc2c(n1)[nH]c(N)nc2=O T34132
CCCn1c2ccccc2c2nnc(SCC(=O)NC(C)c3ccccc3)nc12 T34133
COC(C)(C)CCCC(C)CCCc1ccc(cc1)C(C)C T34134
CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 T34135
[Br-].COc1cccc(c1)C(=O)C[n+]1ccn(C)c1 T34136
[H][C@]12CCCN1C(=O)[C@H](CCC(C)C)NC2=O T34138
OC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O T34139
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)OC(O)C[C@H]12 T3414
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O T34140
[H][C@@]12CC[C@](C)(C(=O)CC)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] T34141
CC(C)C1(OCC(CO)O1)C(C)C T34142
[H][C@@]12CC3(C=CC(=O)C=C3)c3c1c(CCN2C)cc(OC)c3OC T34143
CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC T34145
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1 T34146
CC(C)(C)OC(=O)CCOCCOCC#C T34148
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCC#C T34149
CC(C)=CC1C(C(=O)OCc2cc(CC#C)oc2C)C1(C)C T34150
CC(C)OC(=O)Nc1ccccc1 T34151
[H+].CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C.[Cl-] T34152
CCC(C(C=C1N2CC(N(C)C)C)=CC=C1SC3=C2C=CC=C3)=O.[H]Cl T34152L
CCC(=O)Nc1cccc(O)c1 T34153
CCCOC(=O)c1cncn1C(C)c1ccccc1 T34154
Cl.CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c1ccccc1 T34155
CCCOC(=O)Nc1cccc(O)c1 T34157
CCCOC(=O)C1C(C)Cc2cc3OCOc3cc2C1C(=O)OCCC T34158
CCCOC(=O)COc1cccc(c1)C(C)(C)C T34159
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O T3416
CCCNc1ccc(c(C)c1)S(=O)(=O)c1ccc(N)cc1 T34160
CC(O)CO.CCCCCCCCCC(O)=O T34161
CCCOC(=O)Cn1cc(I)c(=O)c(I)c1 T34163
[Br-].CC(C(=O)N1c2ccccc2Sc2ccccc12)[N+]1(C)CCCC1 T34164
CCCCCC(C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C=CCCC(=O)OC T34165
CN(C)CCCN1c2ccccc2Sc2cccnc12 T34169
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(c1noc(CCN(CC)CC)n1)c1ccccc1 T34170
CC(O)CC1(CC=C)C(=O)NC(=O)NC1=O T34171
CC1=Nc2ncc(Cl)cc2C1(C)C T34172
[H][C@@]12CC[C@H](C)c3c(O)c(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(C)c([C@H](C[C@@H]1C)C=C(C)C)c23 T34177
Cl.COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 T34178
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC(=O)c4c(C=O)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O T3418
C[C@@H]1CC[C@H]2[C@H](OC(=O)C2=C)[C@]2(C)OC(=O)CC[C@H]12 T34180
Cc1cc(O)ccc1C(C)(C)C T34182
Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)cnc2[nH]1 T34184
CC(C)C1=CC=[C](OO)(C=C1)C(C)(C)C T34185
O=C(C1=CC=C(NC2=NC(C3CC3)=CN4C2=NC=C4C5=CNN=C5)C(F)=C1)N6CCNCC6 T34187
NCCCN1c2ccccc2Sc2ccccc12 T34189
[Cl-].COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC T3419
O=C1N[C@@H](CC2=CC=CC=C2)C(N3[C@@]1([H])C[C@]4(C(C=C)(C)C)[C@@]3([H])N(C(C)=O)C5=C4C=CC=C5)=O T34190
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@H](O)C[C@H](O)C12 T34191
CCC[C@H]1CC[C@H]2[C@H](C)CCC[C@@H]2N1 T34192
[H][C@]12CC(C)(C)[C@]1(O)CC[C@]1(C)[C@@H](O)C=C[C@]21CO T34193
COc1ccc2C3N(CCc4cc5OCOc5cc4C3=O)C(=O)Cc2c1OC T34194
COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21 T34197
O=c1c2ccccc2c2cc3ccc4c5c(cc6ccc1c2c6c35)c1ccccc1c4=O T34198
CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC T3420
[H][C@@]12C[C@]3(C)O[C@@H]3CC\C(C)=C\[C@@H](OC(C)=O)[C@@H]1C(=C)C(=O)O2 T34200
c1c(oc2ccccc12)-c1ccncc1 T34202
Nc1ccc(OCCCCCOc2ccccn2)cc1 T34203
[Cl-].[Cl-].O\N=C\c1cc[n+](CSC[n+]2ccc(\C=N\O)cc2)cc1 T34204
Cc1c(Br)c(O)c(O)c(Br)c1Br T34205
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O T34206
Cl.O=C(COC(=O)[C@@H]1CCCN1)NC(c1ccccc1)c1ccccc1 T34207
OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 T34208
CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(O)=O T34209
CC(C)CCCCCC(NCC1=CC=C(O)C(OC)=C1)=O T3421
COP(=O)(OC)OP(=O)(OC)OCCl T34210
[Br-].[Br-].C[N+]1(CCCCCC[N+]2(C)CCCC2)CCCC1 T34211
[I-].[I-].C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 T34212
C\C(=N\NC(N)=O)C(O)=O T34213
Cl.CC1CC(=O)c2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T34214
[H][C@]12CCCCN1C[C@@]1([H])c3c(CCc4ccccc14)scc23 T34216
CCCNC(C)(C)C(=O)Nc1ccccc1C T34217
c1ccc(cc1)-c1cccc(c1)-c1cccc(c1)-c1ccccc1 T34218
COC(=O)[C@@]12[C@H]3C[C@]4([C@H](Nc5ccccc45)[C@@H]4C[C@H]1\C(CN34)=C\C)[C@@H]2O T34220
Nc1nc(=O)c2c(CN[C@H]3C=C[C@H](O)[C@@H]3O)c[nH]c2[nH]1 T34221
Cl.COCCCNCC1COc2ccccc2O1 T34222
[H][C@@]12N(C)CC[C@@]1(C)c1cc(OC(=O)N3CCc4ccccc4C3)ccc1N2C T34223
[H][C@@]12CC[C@H](OC3=CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T34225
[H][C@]12CCCN(CCC)[C@]1([H])Cc1cnc(N)nc1C2 T34226
[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(OC4CCCC4)cc3CC[C@@]21[H] T34227
CCC1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O T34228
[H][C@@]12CC[C@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(OC4CCCC4)=CC3=CC[C@@]21[H] T34229
CC(C)c1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O T3423
COC(=O)[C@H](C)NP(=O)(OCC1C\C1=C\n1cnc2c(N)nc(N)nc12)Oc1ccccc1 T34233
OC(Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1 T34234
Cl.CCOC(=O)c1cncn1C(C)c1ccc(F)cc1 T34237
CCc1nc2cc(nc(CC)n2n1)N1CCSCC1 T34238
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Nc1ccc(cc1)C(O)=O T34239
CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1 T3424
CC(C)(C)c1cc(\C=C\C(=O)c2ccc(cc2)C(O)=O)cc(c1O)C(C)(C)C T34240
CCCC(C)(C)C(=O)Nc1cccc(OC(=O)NC(C)C)c1 T34242
O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1 T34243
O=c1c2ccc(OCC3CO3)cc2oc2cc(OCC3CO3)ccc12 T34244
CCOP(=S)(OCC)SC(c1ccccc1)c1ccc(Cl)cc1 T34245
OCC1OC(C=CC1O)n1ccnc1[N+]([O-])=O T34247
CC1(CCC[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)[C@H]5O)(OC3=O)O)O)C T34248
CN(C)CCNC(=O)Cn1c2ccc(Cl)cc2c2nc3cc(C)c(C)cc3nc12 T34249
FC(F)(F)C1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 T34250
CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(c1)S(N)(=O)=O T34251
CCCCCN(C)CC(=O)Nc1c(C)cccc1C T34253
CC(C)=Cc1oc2c3c1C(=O)c1ccccc1C(=O)c3c(O)c1ccccc21 T34255
C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(Cl)c1 T34256
CON1C(=O)[C@]2(C[C@H]3NC\C(=C\C)[C@H]4C[C@H]2OC[C@@H]34)c2ccccc12 T34259
C\C(CO)=C/CNc1ncnc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12 T34260
O=C(Cn1c2ccccc2sc1=O)OCc1ccccc1 T34263
Cl.COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 T34264
C=CCN(C(C1=C(N(=O)=O)C=CC(Cl)=C1)=O)CC=C T34265
CC(=O)NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1 T34265L
[H][C@@]12C[C@]3([H])C(=COC(C)[C@@]3([H])CN1CCc1c2[nH]c2cc(OC)c(OC)cc12)C(=O)OC T34266
CC(=O)Oc1c(C)c2CC(CC(O)=O)Oc2c(C)c1C T34268
c1cc(ccc1/C=C/c1cc(cc(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O T3427
[H][C@@]12[C@@H]([C@@H](C)O)C(=O)N1C(C(O)=O)=C(Sc1nc(cs1)C1=C[C@H](C)NC1)[C@@H]2C T34270
COc1ccc(cc1OC)-c1cc(=O)c2c(OC)cc(OCC(O)=O)cc2o1 T34276
OC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 T34279
OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@H](O)[C@@H]1O T3428
C[C@H]1N(CCc2ccccc12)C(=O)c1cc2ncc(Br)cn2n1 T34282
[H][C@@]12CC[C@H]([C@H](C)CC(C)C(=C)C(C)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T34283
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T34287
[H][C@]12C[C@@H](O)[C@@]3(CO3)[C@@]1([H])[C@]1([H])OC(=O)C(=C)[C@@]1([H])[C@@H](CC2=C)OC(=O)[C@]1(C)CO1 T34288
CN1CCc2cc3OCOc3cc2C(=O)Cc2ccc3OCOc3c2C1 T3429
Clc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 T34292
Cl.CO[C@H]1[C@H](O)C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(O)=O T34293
[H][C@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CCc1c2[nH]c2cc(OC)c(OC)cc12)C(=O)OC T34294
CCCCCCc1c(O)cc(CCCCC)cc1O T34296
O[C@H]1CCCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]12 T34297
CC(C)c1ccc2c(ccc3c(C)cccc23)c1 T34298
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=N/O T34299
C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 T34301
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]12C T34302
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]12C T34303
[H][C@]12C[C@]3([H])[C@H](CO)[C@]4([H])N(C(C)=O)c5ccccc5[C@@]14CCN2C\C3=C\C T34304
CC[C@@]12[C@H](C)[C@@](C)(OC1=O)C(=O)OCC1=CC[N@@+]3(C)CC[C@@H](OC2=O)[C@]13O T34305
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 T34306
O=c1cc(-c2ccccc2)n(-c2ccccc2)n1CCCN1CCN(CC1)c1ccccn1 T34307
C[C@H](c1c[nH]c(=S)[nH]1)c1cccc(C)c1C T34308
O=C(NC1[C@@H]([C@@H]([C@@H](COC(C2=CC=C([N+]([O-])=O)C=C2)=O)O1)O3)OC3(C)C)N(CCCl)N=O T34309
Cl.Cl.CN1CCN(CC1)c1cccc2[nH]c(=O)oc12 T3431
Oc1ccc(O)c(c1)-c1ccc(=O)[nH]c1 T34310
NA T34311
CCCCN(CCCC)c1ccc(\C=C\C=C\c2cc[n+](CCCCS([O-])(=O)=O)cc2)cc1 T34312
CCCCCN(CCCCC)c1ccc(\C=C\C=C\c2cc[n+](CCCCS([O-])(=O)=O)cc2)cc1 T34313
COC(=O)[C@H](Cc1ccccc1)NC(=O)C(=C1/OC(=O)C(=C1O)c1ccccc1)\c1ccccc1 T34314
OC(=O)CC(O)(CC(=O)NCCCCNC(=O)CC(O)(CC(O)=O)C(O)=O)C(O)=O T34316
CC1=N[C@](CCN1)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O T34317
Nc1nc(=O)c2nc(CN(C=O)c3ccc(cc3)C(O)=O)cnc2[nH]1 T34318
CC(=O)O[C@H]1[C@H]2O[C@]22[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 T3432
c1(ccc(cc1)CC[C@@H](O)C)O T34321
COc1c(O)cc2C(=O)c3ccc(C)c(O)c3C(=O)c2c1OC T34322
Cn1c2OC(C)(C)C(O)Cc2c(=O)c2ccccc12 T34323
OC[C@H](O)[C@H](O)C(=O)CO T34324
OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F T34327
CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C T34328
O[C@@H]([C@@H]1CCCCN1)c1ccc(O)c(O)c1 T34329
Cc1ccc(cc1)-c1ccc(F)cc1COc1ccc(CCC(O)=O)cc1 T3433
[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 T34330
OP(O)(O)=O.OCCSCc1ccncc1 T34331
Cl.CCOC(=O)COc1cc(C)c(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1C T34333
OCC#CCOCn1ccnc1[N+]([O-])=O T34334
CCOC(=O)\C=C(/C)c1ccc(OC(C)C#C)cc1 T34338
Cl.OC(CN1CCOCC1)Cn1ccnc1[N+]([O-])=O T34339
OC(CN1CCCC1)Cn1ccnc1[N+]([O-])=O T34340
COc1cc(ccc1O)N1CCN(CC(O)COc2ccccc2NC(C)=O)CC1 T34341
COCC(O)Cn1c(C)ncc1[N+]([O-])=O T34342
CCCCN1CCC(CNC(=O)c2cccc3OCCOc23)CC1 T34343
C[C@H]1N=C(c2ccccc2F)c2cc(ccc2N(C)C1=O)[N+]([O-])=O T34344
Clc1ccc(cc1)C(=O)NCCN1(=O)CCOCC1 T34345
Clc1ccc(cc1)C(=O)NCCN1CCOCC1=O T34346
Cl.COc1cccc(c1)C1(CCN(C)C)CCCC=C1 T34347
C\C(=C/c1ccc(O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C T34349
CN(C)CC(=O)Nc1ccc(OCc2cnc(n2C)[N+]([O-])=O)cc1 T34350
OCCNCCNC(=O)c1ccc(Cl)cc1 T34351
C\C(=C/c1cccc(c1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C T34352
CN1CCN(CC1)c1c(F)cc2C(=O)C(=C[N+]([O-])(CCF)c2c1F)C(O)=O T34353
Cn1c(COc2ccc(NC(=O)C[N+](C)(C)[O-])cc2)cnc1[N+]([O-])=O T34354
CCCC\C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1cccc(OC)c1 T34355
OC(CN1CCCC(O)C1)Cn1ccnc1[N+]([O-])=O T34356
CC(O)(CN1CCCCC1)n1cc[n+]([O-])c1[N+]([O-])=O T34357
N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O T34359
CN(CCNc1ccnc2cc(Cl)ccc12)CCNc1ccnc2cc(Cl)ccc12 T3436
OC1=CC=C(OCC(O)CNCCC2=CC=C(OC)C(OC)=C2)C=C1O T34360
Br.CNNCc1ccc(cc1)C(=O)NC(N)=O T34361
OC(=O)c1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O T34362
[Br-].C[N+]12CCC(CC1)C(O)C2 T34363
COc1ccc(cc1)C1=NCC(=O)N(C)c2ccc(Cl)cc12 T34364
C[N+](C)(C)CCN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 T34365
CC\C(CCC1OC1(C)CC)=C/COc1ccc2OCOc2c1 T34366
CN(C)CC#CC1=Cc2ccccc2Sc2ccc(cc12)C(F)(F)F T34369
OCc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O T34371
CC(=O)Nc1cc(cc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1O)C(=O)c1ccc(C)cc1 T34372
Cl.Cl.CCN(C[C@H]1COC(N)=N1)c1ccccc1 T34373
Cl.Cl.NC1=N[C@H](CO1)c1ccc(Cl)c(Cl)c1 T34374
CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 T34375
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccc(c1)S(O)(=O)=O T34376
CCCCCC[C@@H]([C@H](O)C[C@@H](O)CCC(O)=O)C(O)=O T34377
CCCCCCC(C(O)CC1CCC(=O)O1)C(O)=O T34378
Cc1ccc(cc1)C(=O)c1cc(N)c(O)c(O)c1 T34379
COc1ccc2SCCN(C)Cc2c1 T3438
COc1ccc(cc1)-c1c(O)c2c(OC)c3C=CC(C)(C)Oc3cc2oc1=O T34380
[H][C@]12CC(Cl)C[C@]1([H])N(CCC(=O)Nc1ccccc1C)CCC2 T34382
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO T34383
Cl.CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(O)=O)cc(F)c1F T34385
COc1ccc(cc1)C(=O)Nc1ccc(OCC(O)CNC(C)C)cc1 T34386
Fc1ccc(Cn2cc(C(=O)C(=O)Nc3c(Cl)cncc3Cl)c3cccnc23)cc1 T34387
O=C(N)CCCCCCCCCS(=O)(C)=O T34388
CS(=O)(=O)CCCCCCCCCC#N T34389
FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1 T3439
[H][C@@]12O[C@]1(C)[C@@H](C)[C@@]1([H])[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)C\C=C(C)\C(=O)[C@@H](C)C\C=C\[C@@]21[H] T34390
[H][C@]12CCN3C[C@@H](O)[C@]([H])(COC(=O)[C@](C)(O)[C@H](C)C\C(=C\C)C(=O)O1)[C@]23[H] T34391
Clc1ccc(cc1)[C@H]1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 T34392
[H][C@@]12COc3cc(OC)c(OC)cc3[C@@]1(O)C(=O)c1ccc3O[C@H](Cc3c1O2)C(C)=C T34394
OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4OCOc4c2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O T34395
CC[C@H](C)\C=C(/C)\C=C\C1=CC2=CC3=C(C(C)=O)C(=O)O[C@]3(C)C(=O)C2=CO1 T34397
[H][C@@]12[C@@H](C[C@@H](C)[C@](O)(CCc3ccoc3)[C@@]1(C)CCCC2(C)C)OC(C)=O T34398
C[C@@H]1CCCN1C(=O)[C@H](CCc1cscn1)NC(=O)[C@H]1NC(=O)O[C@H]1C T34399
OC(=O)CCC(CP(O)(O)=O)C(O)=O T3440
[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(=C[C@]12C)C(O)=O T34400
O=C1N(C)C(CC12CCN(CCCC(C3=CC=C(F)C=C3)=O)CC2)=O T34401
N#CC1=CC(C2=NC(C3=CC=CC4=C3CC[C@@H]4N)=NO2)=CC=C1OC(C)C T34402
Clc1cccc(NC(=O)c2ccn3C(SCc23)c2cccnc2)c1 T34403
CN(C(=O)CN(C(=O)CNC(=O)Nc1cccc(CC(O)=O)c1)c1ccccc1)c1ccccc1 T34404
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1)c1ccccc1 T34406
CCCCN1CCC(COC(=O)c2cccc3OCCOc23)CC1 T34408
Clc1cc(ccc1OCC(=O)NCCN1CCOCC1)C1=NNC(=O)CC1 T34409
[H][C@@]12CC(C)C(OC(C)=O)(C(C)=S)[C@@]1(C)CC(O)[C@@]1(F)[C@@]2([H])CC(F)C2=CC(=O)C=C[C@]12C T34410
COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO)cc1 T34411
CCOC(=O)Nc1ccc(OC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 T34412
COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CCCc2ccc3OCCOc3c2)CC1 T34413
COC(=O)CCC=C=CCC1C(\C=C\C(O)COc2ccccc2)C(C)CC1=O T34414
Cl.Clc1ccc2CCCC3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CCc1c23 T34415
[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)SC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C T34416
[H][C@@]12C\C(=C\CCC(O)=O)[C@]1([H])CC[C@H](O)[C@H]2C#C[C@@H](O)C1CCCCC1 T34417
Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1 T34418
OC(=O)c1cccn1Cc1cccc(Cl)c1 T34419
CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(O)=O T3442
CN1CCc2c(Cl)ccc3CCCC(C1)c23 T34420
CC(C)(Oc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O T34421
CC1CN1CC(O)Cn1ccnc1[N+]([O-])=O T34422
CC1(C)CN1CC(O)Cn1ccnc1[N+]([O-])=O T34423
CC1C(C)N1CC(O)Cn1ccnc1[N+]([O-])=O T34424
[O-][N+](=O)c1ccccc1-c1ccc(\C=C2/SC(=N)NC2=O)o1 T34425
CC(C)(C)c1ccc(O)c(c1)\N=C\c1cccc(c1)[N+]([O-])=O T34426
[H][C@@]12CCC(CC(C1C(=O)OC(C)C)c1ccc(I)cc1)N2C T34427
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC(C)(C)C(=O)C=C3CC[C@@]21[H] T34430
NC1Cc2c[nH]c3cccc(C1)c23 T34431
CN(C)C1Cc2c[nH]c3cccc(C1)c23 T34432
CN1Cc2c(ncn2-c2ccc(F)cc2C1=O)C(=O)C1CC1 T34433
CO\N=C\C1=CCCN(C1)C(=O)Oc1ccc(Cl)cc1 T34435
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)C=C[C@]12C T34436
CC(C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3[C@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C T34437
COC(=O)c1c(O)c2ccccc2c2oc(=O)ccc12 T34438
[H][C@]12N(C)CC[C@@]1(C)C1=CC(=O)C(=O)C=C1N2C T34439
COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 T3444
[H][C@@]12O[C@@]3(C)CC(=O)[C@]1(O)C(=O)N[C@]2(CC(C)C)O3 T34441
COc1cc(O)c2c(O)c3c(cc2c1)oc(C)cc3=O T34442
[H][C@]12Oc3c(c(O)cc4C(=O)c5c(cc(C)nc5CCC)-c4c3=O)[C@@]1(O)[C@@H](O)[C@@H](O)[C@@H](C)O2 T34443
C[C@H](C1)[C@@H](C)CC2=CC(OC)=C(OC)C(OC)=C2C3=C1C=C(OCO4)C4=C3OC T34446
[H][C@]12C[C@@]3([H])[C@]4([H])C[C@@H](O)[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 T34449
CC(Nc1nc(nc2ccccc12)N1CCCC1)c1ccccc1 T3445
COc1cc(oc(=O)c1C)C(\C)=C/C=C/C=C/C=C/c1[nH]ccc1Cl T34450
CCC(C)CNCC(=O)N1CCc2sccc2C1c1cccc(C)n1 T34451
COc1cc(Oc2c(Cl)cc(O)cc2Cl)c(OC)c(Oc2c(Cl)cc(O)cc2Cl)c1 T34452
COc1cc2cc(c(=O)oc2cc1OC)C(C)(C)C=C T34453
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O1 T34454
COc1ccc2CC3N(C)CCC45C(Oc1c24)C(=O)CC1C(C)=C(C)CCC351 T34456
CC(C)[C@@]1(O)[C@@H](O)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C T34458
C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12 T34459
CC(NC1=C2C=CC=CC2=NC(N3CCCC3)=N1)C4=CC=CC=C4.[H]Cl T3445L
CC(C)[C@H](N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)c1ccc(cc1)[N+]([O-])=O)C(N)=O T34465
CN(C)S(=O)(=O)c1cc2CC(Oc2c(Cl)c1Cl)C(O)=O T34469
C1CN=C(N1)C1Cc2ccccc2O1 T34470
N[C@@H](CSCCCC(O)=O)C(O)=O T34471
CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(nc2C)-c2ccc(C)cc2)c1 T34472
COc1cc2OC(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)c2c2n(C)c3cc4ccccc4cc3c(=O)c12 T34474
COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1 T34475
COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(N)c1 T34476
CC(C)CC(Sc1c[nH]c2cccc(C)c12)C(=O)NCCO T34478
Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cccc2ccccc12 T34479
COc1cccc(c1)-n1c(SCC(O)=O)nnc1-c1ccccn1 T3448
CCOC(Cc1ccc(OCCn2ccc3cc(ccc23)C(=O)c2ccccc2)cc1)C(O)=O T34480
O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1OC/C=C/C2=CC=C(O)C=C2 T34482
NA T34487
COc1ccc(CC[N+](C)(C)C)cc1O T34489
COC(=O)C1=C(C)NC(=NC1c1ccc(F)cc1Cl)c1ncc(F)cc1F T3449
OC(=O)CC[C@H](NC(=O)c1ccccc1O)C(O)=O T34491
O=C(N/N=C/C1=CC=CC=C1O)C2=CC=NC=C2 T34492
CC[C@H]1C(=O)N[C@@]2(C(O)[C@H]3CCCC=C3)C(=O)O[C@@]12C T34493
[H][C@]12CCC(=O)C[C@@]1([H])N1C(=O)C(CCCl)=C(C)[C@]1([H])[C@H]2O T34494
OC[C@H]1O[C@@H](Oc2ccc(O)cc2COC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O T34495
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](O)C\C(C)=C\CC\C(CO)=C\2 T34497
COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O T34498
CCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1 T34499
[H][C@@]12C=CC[C@@]3([H])[C@@]1(COC2=O)CC[C@]1([H])C(=O)O[C@H](C[C@]31C)c1ccoc1 T34500
C[C@@]12C[C@@H](O)C[C@H]1[C@@H]1CC[C@@H]3C[C@H]4NC[C@H](O4)[C@]3(C)[C@H]1CC2 T34501
C[C@@]12CC(=O)C[C@H]1[C@@H]1CC[C@@H]3C[C@H]4NC[C@H](O4)[C@]3(C)[C@H]1CC2 T34502
CC(C)[C@H]1[C@H](C[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5NC[C@H](O5)[C@@]4(C)[C@@H]3CC[C@]12C)OC(C)=O T34503
[H][C@@]12CC[C@@](C)(O)[C@H](COc3ccc4ccc(=O)oc4c3)[C@@]1(C)CC[C@@H](O)C2(C)C T34504
CC1=C[C@]23O[C@@H]4[C@@H](O)C[C@](C)([C@@]2(C)CC1)[C@]4(CO)O3 T34505
OC[C@H]1O[C@@H](O[C@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O T34506
COCCNC(=O)Cn1cnc(n1)[N+]([O-])=O T34508
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 T3451
CNC[C@H]1CC[C@H](N)[C@@H](O[C@@H]2[C@H](N)C[C@H](OC)[C@H](NC)[C@@H]2O)O1 T34512
CC(C)=CCCC1(C)C2CC3C(C2)C13C T34513
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C)[C@H]1CO[C@@H]([C@H](O)C1)C(C)(C)O T34515
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C)[C@H]1COC(C)(C)[C@@H](O)[C@H](O)C1 T34516
CC(C)CCCc1c(C)ccc2C(=O)C(C(C)C)=C(O)C(=O)c12 T34517
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-n1ccnc1 T3452
Fc1ccc(cc1)C(N1CCN(CC1)C(=O)n1cncn1)c1ccc(F)cc1 T34521
Cl.NC(Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O T34523
CC1=C2CC\C(C)=C/CCC3(C)OC3CC\C(C)=C\C2OC1=O T34525
CC(C)C1=C\C=C(C)/CC\C=C(C)/CC\C=C(C)\C(O)C\1O T34526
CC1=C2CC\C(C)=C/CC[C@]3(C)O[C@H]3CC\C(C)=C\[C@@H]2OC1 T34527
[H][C@@]12CC\C(=C(\C)CC(C)C(C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T34528
[H][C@]12C[C@@H](O)[C@]3(C)[C@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@@H](O)CC[C@]21C)[C@H](C)O T34529
CCc1noc(C)c1-c1[nH]c2ccccc2c1C(O)CN(C)C T34532
COc1cc2OCOc2cc1CC=C T34533
[H][C@]12C[C@]3(OC45COC(=O)[C@@]4(C)CCC(OC(=O)[C@@H]1C)(O3)[C@]25C)c1ccoc1 T34537
CCNC(c([nH]nc1-c(c(O)c2)cc(Cl)c2O)c1-c(cc1)ccc1OC)=O T3454
C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 T34540
OC(=O)[C@H](Cc1ccc(OCCNCc2nc3ccccc3o2)cc1)OCC(F)(F)F T34542
NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O T34544
CN(C)c1ccc(NC(=O)Nc2ccnc3c(F)ccc(F)c23)cc1 T34545
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1 T34546
Cc1c(C)c(=O)n2n1c(CSC[C@H](N)C(O)=O)c(C)c2=O T34547
[Na+].Cn1c(SCCOc2ccc(cc2)C([O-])=O)ncc1[N+]([O-])=O T34548
CCCCCCC(C)(O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O T34549
COC(=O)CCCCCCC1C(C#CC(C)(O)COc2ccccc2)C(O)CC1=O T34550
Clc1ccc2N(CCN=C(c3ccccc3Cl)c2c1)C1=NCCO1 T34551
CC(C)(C)c1ccc(CC[C@@H]2C[C@@H](O)CC(=O)O2)cc1 T34552
[Na+].CCCCCC(O)\C=C\C1C(O)CC2OC(=CC12)C(F)CCCC([O-])=O T34553
[Li+].CCCCC\C=C\CC(O)c1ccc(\C=C\C(O)CCCC([O-])=O)cc1 T34555
[Cl-][Mn+2]1234(N5CCN1C6CCCCC6N2CCN3C7CCCCC7N4CC5)[Cl-] T34556
COC(=O)CC\C=C/CC[C@@H]1[C@@H](\C=C\C[C@@](C)(O)\C=C\C2=CCCC2)[C@H](O)CC1=O T34557
Cl.COc1cccc(c1)C1(CCCN(C)C)C(=O)NC(=O)CC1(C)C T34558
O=C(NC[C@H]1[C@]2([H])CCCN2CC1)C3=CC(Cl)=C(N)C=C3OC.[H]Cl T34559
[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CCC(=C)CO1)O2 T34565
CCCCc1c(O)c2cccnc2n(-c2ccccc2)c1=O T34566
CCOc1ccc2nc(sc2c1)N(CC)C([O-])=O T34567
O=C(C(N12)=C(SCCCN)S[C@]2([H])[C@@H]([C@H](O)C)C1=O)O T34568
O=C(C(N12)=C(SCCCN)S[C@]2([H])[C@@H]([C@H](O)C)C1=O)O T34569
CC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12 T34570
NC(=O)OCC(CO)c1ccccc1 T34571
CS(O)(=O)=O.CC(C)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 T34572
CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1 T34573
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C T34574
CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(O)=O T34575
[H][C@@]12CCN3CC=C[C@]45CC[C@]1(N(C(O)C4)c1cc4OCOc4cc21)[C@@]35[H] T34576
[H][C@@]12C\C(C=O)=C/CC\C(C)=C\[C@@H](O)[C@]1([H])C(=C)C(=O)O2 T34577
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 T3458
CN(C)C(=S)N\N=C(/c1cccs1)c1ccccn1 T34581
COc1cc2cc(NC(=O)\C=C\c3ccc(Cl)cc3)c(=O)oc2cc1O T34582
C[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H](O)C=O T34583
Oc1ccc(\C=C\c2cc(O)cc3OC(C(c23)c2cc(O)cc(O)c2)c2ccc(O)c(O)c2)cc1 T34587
NC1=C(O)[C@@H](OC1=O)[C@H](O)CO T34588
[2H]C([2H])(c1ccc(O)c(O)c1)[C@]([2H])(N)C(O)=O T34589
COCCSC1=C(C)C(=O)c2ccccc2C1=O T3459
[2H]C([2H])([2H])Oc1ccc(cc1)C(CN(C([2H])([2H])[2H])C([2H])([2H])[2H])C1(O)CCCCC1 T34590
NC(=O)CCCCCCCCC(O)=O T34595
NC(=O)CCCCCCCCC(N)=O T34596
Clc1ccc2OC3CCON3C(=O)c2c1 T34597
CC(CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F T34599
COc1cc(OC)cc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(ccc2[nH]1)N(C)C T3460
N[C@@H](C[Se][Se]C[C@H](N)C(O)=O)C(O)=O T34603
N[C@@H](CS[Se]SC[C@H](N)C(O)=O)C(O)=O T34604
NCCC[Se]C[C@H](N)C(O)=O T34606
N[C@@H](C[Se]C[C@H](N)C(O)=O)C(O)=O T34607
C[75Se]CC[C@H](N)C(O)=O T34608
CC(C)c1cc2[nH]c(=O)n(NS(C)(=O)=O)c(=O)c2cc1-c1ccnn1C T34609
CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 T3461
[Cl-].Cn1c2ccccc2c2cc[n+]3cc4CCCCc4cc3c12 T34612
Cl.[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)C(=C)C\C(=C\C)C(=O)O1)[C@]23[H] T34613
CCN1CCC(CC1)c1cc(F)cc(c1)S(C)(=O)=O T34616
OC(=O)CCCCC(O)=O.NCCc1c[nH]c2ccc(O)cc12 T34617
CCCCCCC[C@@H](O)CC(=O)N[C@@H](CO)C(O)=O T34618
CC1CC(CC2CCC3C4CC5C(CC(C)CC5N(C)C4)CC3=N2)C2CCCN(C2C1)C(C)=O T34619
Cl.CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C T3462
C[C@H]1C[N@@]2(=O)CCC[C@@]22CC[C@@H]3CCC(=O)C[C@]23[C@H]1O T34620
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(O)=O T34622
CSCC[C@H](NC(=O)[C@@H](N)CO)C(O)=O T34623
CC[C@](O)(c1nnc(NCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)o1)C(F)(F)F T34624
Cl.CCNc1ccc(cc1C)C(=C1\C=C/C(=N/CC)/C(C)=C1)\c1ccccc1Cl T34625
O=C1C(CCN2CCC(C(C3=CC=C(F)C=C3)=O)CC2)=C(C)N=C4N1CCS4 T34626
C(C1CO1)c1ccc2OCOc2c1 T34627
Cc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Br T3463
CC(C)C(NC1=NNC2=C1C=CC(C3=CC=CC(NS(=O)(C4CC4)=O)=C3)=C2)=O T34630
COC1=C(OC)C(OC)=CC(N(C)C2=CC=NC3=CC=C(C(F)(F)F)C=C23)=C1 T34631
CC(=O)NCCc1c2SCC(=O)Nc2c2nccc3c4ccccc4[nH]c1c23 T34633
CC1(C)OC[C@]2(CO[C@@H](OC[C@@H]3O[C@H](OC[C@@H]4[C@@H]5CC[C@H](C5)C4(C)C)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O)O1 T34634
Unknown T34635
N[C@@H](CCSCCO)C(O)=O T34636
C(c1ccncc1)C1(Cc2ccncc2)c2cccnc2-c2ncccc12 T34637
[K+].[K+].CCC(C(CC)c1ccc(cc1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O T34639
O\N=C1\C2CC2(Oc2ccccc12)C(=O)Nc1ccccc1 T3464
C[Si]1(C[C@H](CN)CC(O)=O)CCCC1 T34640
C[Si](C)(C[C@@H](CN)CC(O)=O)C1CC1 T34641
O=[Si]=O T34642
CCCCC[C@H](O)c1ccc(cc1)N1[C@@H](COCc2ccc(s2)C(=O)OC(C)C)CCC1=O T34644
CCCc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(CCC)cc2OC)c(OC)c1 T34645
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 T34646
CN(\N=N\N(C)c1ccccc1)c1ccccc1 T34647
[O-][N+](=O)OCCN1COc2ccccc2C1=O T34648
[Br-].[H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CCC)CCC)[N@+]2(C)C(C)C T34649
COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1 T3465
COC(CNCc1ccccc1)c1cccc(c1)C(F)(F)F T34652
NA T34653
Oc1cc(CN(CCCl)CCCl)c(O)cc1CN(CCCl)CCCl T34655
CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 T34656
CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1 T34658
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(F)cc1 T34660
Cc1cc2cc(NC(=O)c3nccnc3N)ccc2[nH]1 T34661
Nn1cnc2-c3ccccc3CC3(CCCC3)c2c1=O T34662
O=C(NC1=NC=C(C2(O)CCC2)S1)C3=CC=C(F)C(Cl)=C3 T34664
SCCNCC1=CC(N(C)C)=CC(CNCCS)=N1 T34665
Cl.C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O T34666
Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1 T3467
CC(C)(C)c1cc2c(c(S([O-])(=O)=O)c(C(C)(C)C)cc2)cc1.[Na+] T34672
[Na+].CCOC(=O)CC(=O)C([O-])=O T34673
[Na+].OCC1(CC([O-])=O)CCCCC1 T34674
[Na+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC(CCC(O)=O)C([O-])=O T34675
[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)NC(CCC(O)=O)C([O-])=O T34676
[Na+].CCCCCCCCCCCCCCCC(=O)NC(CCC(O)=O)C([O-])=O T34677
[Na+].NC(=O)CCC(NC(=O)Cc1ccccc1)C([O-])=O T34678
[Na+].NC(=O)CCCCCCCCC([O-])=O T34679
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 T3468
Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T34685
OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)C=O T34687
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N T34688
CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O T34689
[H][C@@]12[C@]3(O)OC(=O)[C@@]1(CCCC2(C)C)[C@@]1(O)CC[C@](C)(C=C)C=C1C3=O T34691
[H][C@@]12[C@]3(O)OC(=O)[C@@]1(CCCC2(C)C)[C@@]1(O)CC[C@@](C)(C=C)C=C1[C@H]3O T34692
Cl.Clc1ccc2Sc3ccccc3N(CCCN3CCC4(CC3)NC(=O)CS4)c2c1 T34695
O[C@H]1[C@H](N2C=NC3=C(N)N=C(OC)N=C23)O[C@H](CO)[C@H]1O T34698
N[C@@]1(C[C@@H](C1)C(O)=O)C(O)=O T3470
[H][C@]12[C@H](CC=CC1=C[C@@H](O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC T34700
[H][C@@]12CC[C@@]([H])(O1)[C@@H](\C=C\[C@@H](O)C1CCCCC1)[C@@H]2C\C=C/CCCC(O)=O T34702
C[C@H]1[C@H](NC(=O)C(=N\OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O T34703
OC(CNC(=O)Cn1ccnc1[N+]([O-])=O)C(F)(F)F T34705
CCC(Sc1ccc2nnc(-c3cccs3)n2n1)C(=O)N1CCCCC1 T34706
CC1(C)OCC2=NN(C(N)=C(C#N)C2=C1)c1ccccc1 T34708
CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(N)n1 T34709
N[C@]1(C[C@@H](C1)C(O)=O)C(O)=O T3471
[H][C@]12C[C@]([H])(S1)[C@@H](C\C=C/CCCC(O)=O)C(C2)\C=C\[C@@H](O)CCCCC T34710
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC T34712
CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1 T34713
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC([O-])=O T34714
[H][C@]12C[C@](C)(O)C[C@@H](C)[C@]1([H])[C@](C)([C@@H]([C@@H](CC)CO)[C@](C)(O)C2=O)C(=O)\C=C/O T34715
[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C(C)=C[C@]12C T34716
OC[C@@H]1[C@H](C[C@H](N2C(/C=C/C3=CC=CC=C3)=NC4=C2N=C(N)NC4=O)O1)O T34718
CCNCC.Nc1ccc(cc1)[SbH](O)(O)[O-] T34719
Cl.COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO T3472
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H](C=O)[C@@](O)(C=O)[C@H](C)O T34721
Cl.CC(C)(C)NCC(O)COc1ccccc1C#N T34724
C/C=C1CN2CC[C@@]34c5c(N=C3[C@@H]2C[C@@H]/1C4C(OC)=O)cccc5 T34725
c1ccc2c(c1)ncc1ncnnc21 T34726
CCc1cccc(C=C)c1 T34728
[Cl-].CC1=[N+](C)C2CCC1(c1ccccc1)c1ccccc21 T34729
CC(C)(C)c1onc(OCP(O)(O)=O)c1CC(N)C(O)=O T3473
Cl.COc1cc(ccc1OCCCCN1CCN(CC1)c1ccccc1)C(C)=O T34730
COc1ccc2OC(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)Cc2c1 T34731
Cl.Cl.ONC(=N)CCN1CCCCCC1 T34733
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O T34734
Nc1ccc(OCCCCCN2C(=O)CCC2=O)cc1 T34735
CN1c2ccc(Cl)cc2C(=NCC1=S)c1ccccc1 T34739
CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O T34740
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O T34743
CSC(=S)NCCCCS(C)=O T34745
OS(=O)(=O)[N]1(OC(=O)CCCCCNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-])C(=O)CCC1=O T34746
[Na+].[Na+].[O-]S(=O)CNc1ccc(cc1)S(=O)(=O)c1ccc(NCS([O-])=O)cc1 T34747
[H][C@@]12CCCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)O T34749
CSc1nc(Nc2ccccc2)c2cccnc2n1 T3475
COCCCN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12 T34751
Cl.Cl.O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1 T34752
[Br-].[Br-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C T34753
CCNCCNc1ccc(CO)c2sc3cc(Cl)ccc3c(=O)c12 T34754
COc1cc(O)c2c(c1)oc1c(OC)ccc(O)c1c2=O T34755
N[C@@H](CCC(O)=O)C(O)=O.C[C@H](Cc1ccccc1)[N+]1(=NOC([O-])=C1)C(=N)Nc1ccccc1 T34756
C\C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12 T34757
COc1ccc(Br)cc1NC(=O)Nc1cccc2n(Cc3ccnc(N)c3)ccc12 T3476
OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 T34760
C[C@@]12[C@H](O)[C@@H](O)[C@H]([C@@]23CO3)O[C@]4([H])C=C(C)[C@@H](OC(CC(C)C)=O)C[C@]14CO T34763
COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccc(cc1F)C#N T34764
C[C@@H](O)[C@H](NC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O T34765
FCCC1CCN(CC1)c1ccn2c(nc3ccccc23)n1 T34766
O[C@H]1[C@H](N2C=C(CC3=CC=C(C4CC4)C=C3)C5=C2C=CC=C5F)O[C@H](CO)[C@@H](O)[C@@H]1O T34767
CCC(N)C(=O)N[C@@H]([C@H](O)C[C@]1(O)CNC1=O)C(O)=O T34768
Cl.[H][C@@]12CCCCN1C[C@@]1([H])c3ccccc3CCc3cccc2c13 T34769
CCC(N)(C(O)=O)c1ccc(cc1)C(O)=O T3477
OCC([C@H]([C@H]([C@@H](CO)O)O)O)=O T34770
URPJPYAYMWPUPR-UHFFFAOYSA-N T34771
Cc1ccc(\C=C\C(=O)NCCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cn1 T34772
Cl.CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N T34774
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(N)c1ccccc1)C(=O)OC1OC(=O)c2ccccc12 T34776
COC1=C(O)C=CC([C@H]2O[C@H](C3=CC4=C(OCO4)C=C3)[C@@H](C)[C@@H]2C)=C1 T34778
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1 T3478
Cn1c2ncn(CCN3CCC(CC3)c3c[nH]c4ccccc34)c2c(=O)n(C)c1=O T34781
COc1ccc(cc1OC)C(O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 T34782
Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1 T34785
NA T34787
[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C T34788
CC(C)(C)OC(=O)NCCOCCOCCOCCS T34789
CC(N)(C(O)=O)c1ccc(cc1)C(O)=O T3479
O=C(C1=CNC=C1C(OCC(CCCC)CC)=O)OCC(CC)CCCC T34791
CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C T34794
Cc1ccc(Sc2ccccc2C2CCNCC2)cc1 T34795
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC2C=C(CCCCC(O)=O)CC12 T34796
NA T34797
[H][C@@]12CC[C@](O)(C(=O)COC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C T34798
Cc1c(C(=O)OCCO)[n+]([O-])c2ccccc2[n+]1[O-] T34801
[O-][N+](=O)c1cnc(NC(=O)c2cccs2)s1 T34803
CCNc1nc(NC(C)(C)C)nc(OC)n1 T34805
COC(=O)c1ccc(cc1)C(=O)NCCCCCOc1ccc(N)cc1 T34806
NC(=N)c1ccc(cc1)C(N)=N T34807
CCOCOC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl T34808
Cl.CCC(C)(C)c1ccc(OCCCCCCN2CCN(CC2)c2ccc(C)c(Cl)c2)cc1 T34809
O=C1CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN1CCOCC1 T3481
[H][C@]12CCC=C(C)[C@]1(C)C(=O)[C@@H](O)C(C)C2(C)C[C@H](O)[C@]1(CO1)C(=O)C=O T34810
C\C=C\C1=CC(=O)[C@H](O)[C@H]1O T34811
Clc1ccc(NC(=O)C2C(=O)NC(=O)c3ccccc23)cc1 T34812
[H][C@@]12CC[C@H](OC(=O)CC(=O)CCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T34813
C[C@]12CC[C@H]3[C@@H](CCC4=C\C(CC[C@]34C)=N\NC(N)=N)[C@H]1CC[C@@H]2O T34814
[H][C@]12N=N[C@]1([H])[C@]1([H])C[C@]2([H])[C@@]2([H])N=NN(c3ccc(Cl)cc3)[C@@]12[H] T34815
CCCC[P+](CCCC)(CCCC)CCCC T34817
Cc1c(nnn1-c1cccnc1F)-c1ccc2C(=O)N(Cc2c1)C1CC1 T3482
[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])C(=O)[C@]3([H])[C@H]1C)O2 T34821
CN(CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T34822
NC1=NC(N)=C2NC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN=C2N1 T34823
[H][C@@]12N(C)c3ccccc3[C@]11C[C@H]3[C@@H]([C@H]1O)[C@H]1C[C@]2([H])N3C\C1=C\C T34827
C1(N=C2NCC34)=CC=CC=C1N=C2N4CCC5=C3C=CC=C5 T34829
CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F T3483
CCOCCP(CCOCC)CCP(CCOCC)CCOCC T34830
O.[H][C@@]12CC[C@H](CCc3nnn[nH]3)C[C@]1([H])C[C@H](NC2)C(O)=O T34832
CN1[C@@H](Cc2c[nH]c3cccc([N+]([O-])=O)c23)C(=O)N(C)[C@@](O)(Cc2cccc(O)c2)C1=O T34834
CSCC[C@H](NC(=O)c1cccs1)C(O)=O T34835
Cl.CCN(CC)CCn1cnc2n(C)c(=O)n(C)c(=S)c12 T34836
CI.CCN(CC)CCn1cnc2n(C)c(=O)n(C)c(=S)c12 T34837
Cl.Cn1c2ncn(CC(=O)CCN3CCCCC3)c2c(=S)n(C)c1=O T34838
CCn1cnc2n(C)c(=O)n(C)c(=S)c12 T34839
[C@@]1(C[C@H](CC1)C(=O)O)(C(=O)O)N T3484
CO[C@@H]([C@H](O)C=O)[C@@H](O)[C@H](C)O T34840
OC(=O)CS.OC(=O)CS.NC(=O)c1ccc([As](O)O)c(S)c1S T34841
C[N+](C)(C)CCSC[C@H](N)C([O-])=O T34842
C=CCC1(C2CCCC=C2)C(=O)NC(=S)NC1=O T34843
N[C@@H](CSCCN)C(O)=O.[H]Cl T34844
[Na+].[Na+].CCCC(C)C1(CC=C)C(=O)[N-]C(=S)[N-]C1=O T34845
NC1=NCCS1.CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T34846
Fc1cc(cc(F)c1F)C(=S)Nc1ccccc1NC(=S)c1cc(F)c(F)c(F)c1 T34847
N[C@@H](CSSSC[C@H](N)C(O)=O)C(O)=O T34849
CC(CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1 T3485
N[C@@H](CC(=O)SCCNC(=O)OC1CCCC1)C(O)=O T34850
SC1=NCCN1\N=C\c1ccc(o1)N(=O)=O T34851
CCC#CC(C)C1(CC=C)C(=O)NC(=S)NC1=O T34852
CC(SSC[C@H](N)C(O)=O)C(=O)NCC(O)=O T34853
O=C(NC1=CC=C2C=CC=CC2=C1)CS T34855
OS(=O)(=O)OC1CS(=O)(=O)C=C1 T34857
O=S(OC1=CC2=C(CN(CC3=CC=CC(OC)=C3)CC2)C=C1OC)(N)=O T34858
Cc1cc(sc1C(N)C(O)=O)C(O)=O T3486
OC[C@H](O)\C(\C=N\Nc1ccccc1)=N\Nc1ccccc1 T34861
CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@@H]2C[C@@H](O2)O1)C/C=C\CCCC(=O)O)O T34862
OC1=CC=CC=C1C(OCC2CCCO2)=O T34863
Cl.Oc1ncc(CN(CCCl)CCCl)c(O)n1 T34864
ClCCN(CCCl)Cc1c[nH]c(=O)[nH]c1=O T34865
NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O T34868
OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 T34869
CN1CCN(CC1)c1ncc(Sc2cccc(NC(=O)CN)c2)c(OCc2ccccc2)n1 T3487
OCCSCCCCCCCCCCSCCO T34872
Cc1cc(cc(C)c1Sc1ccc(Cl)cc1)-n1ncc(=O)[nH]c1=O T34873
CCOc1cc2cc(sc2cc1OCC)C(O)=O T34874
C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(Cl)c(c1)C(O)=O T34875
CC1CCCC(C)N1C(=S)Nc1cccc(c1)C(F)(F)F T34876
CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 T34877
Cl.NC(=O)CCCNC(N)=N T34878
COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O T3488
COc1cnc(cc1OCC1CC1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl T34880
CC(C(=O)OCC(=O)N(C)C)c1ccc2Oc3nc(C)ccc3Cc2c1 T34881
CC(C(O)=O)c1ccc2Oc3nc(C)ccc3Cc2c1 T34882
[H][C@@]12C[C@H](C)[C@](OC(C)=O)(C(=O)SC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T34883
Cl.C[C@H](NCC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1 T34884
CCC(C)N(C(C)CC)C(=O)SCc1ccccc1 T34886
Oc1cc(cc(c1O)S(O)(=O)=O)S(O)(=O)=O T34887
COc1c(cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O)-c1ccc2cc(NS(C)(=O)=O)ccc2c1 T3489
Cl.CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl T34894
OCCNCCO.CC(OC(=O)C1(C)CCC(C(O)=O)C1(C)C)c1ccc(C)cc1 T34895
CCC1c2cc(OC)c(OC)cc2C(=NN=C1C)c1ccc(OC)c(OC)c1 T34896
Cl.Cc1ccccc1OCC(O)CN1C(C)(C)CCC1(C)C T34897
CC(O)(C(O)=O)c1ccc(O)c(O)c1 T3490
[Cl-].CC[NH+](CC)CCOC1(CCCCC1)c1ccc(Cl)cc1 T34902
Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1 T34904
CC1=NN(C(=O)C1\N=N\c1cccc(-c2cccc(c2)-c2nn[nH]n2)c1O)c1ccc(C)c(C)c1 T34905
CC[C@H](C)C(O)C(=O)O[C@H](\C=C\C=C\C=C\C(O)=O)[C@]1(C)CO1 T34906
O=S(C1=NC(C2=CC=C(OCCCN(C)C)C=C2)=CC(NCCCN3N=CC=C3)=N1)(C)=O T34907
COC1=NC(C2=CC=C(OCCCN(C)C)C=C2)=CC(NCCCN3N=CC=C3)=N1 T34908
Cl.Cl.CC(=N)NCc1cccc(CN)c1 T3491
Cl.NC(=N)SCc1cccs1 T34911
NC(SCC1=CC=C(C#N)S1)=N.[H]Cl T34912
CCCCC[C@H](O)\C=C\[C@H]1C(O)CC(=O)[C@@H]1CCCCCCCO T34913
O[C@@H]([C@H]([C@H](N1C=NC2=C(N=CN=C21)NC3CCCC3)O4)O)[C@H]4CO[N+]([O-])=O T34914
[Na+].Clc1cc(cc2c1oc1ncccc1c2=O)-c1nnn[n-]1 T34917
NC(=O)Cn1c2cc(F)ccc2c(CCN2CCN(CC2)c2nccc3sccc23)cc1=O T34918
CCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C T34919
COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C T3492
[I-].[I-].C[N+](C)(C)CCOC(=O)C1CCC[N+]1(C)C T34920
NCCCNCCCCNC(=O)OCC(=O)NCCCCCCNC(N)=N T34921
Cl.Cl.Cl.NCCCNCCCCNC(=O)OCC(=O)NCCCCCCNC(N)=N T34921L
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1 T34924
COc1nc(OC)nc(n1)C(=O)c1cccc(F)c1N(C)S(=O)(=O)C(F)F T34925
O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1 T34927
Clc1ccccc1-c1nnc(nn1)-c1ccccc1Cl T3493
CCOP(=O)(OCC)C(O)C(Cl)(Cl)Cl T34930
[H][C@]12O[C@@H]3C[C@@H](O)[C@@](C)([C@]33CO3)[C@@]1(C)CCC(C)=C2 T34932
CC(C)[C@H]1C(=O)O[C@@](C)(C(O)=O)[C@]1(C)O T34933
O=C1CNCCN1.Oc1cc(Cl)c(Cl)cc1Cl T34935
[Cl-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1 T34936
N[C@@H](CCC(O)=O)C(O)=O.OCCN(CCO)CCO T34937
CCOC(=O)C\C(=C\C(=O)OCC)C(=O)OCC T34939
COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 T3494
OCCOCCOCCOC(=O)CCCCC(O)=O T34940
COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C T34941
O.Cl.COc1cc2c(N)nc(nc2c(OC)c1OC)N1CCN(CC1)C(=O)OCC(C)(C)O T34945
CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(O)=O T34946
C[C@@H](C([O-])=O)[N+](C)(C)C T34947
OCNc1nc(NCO)nc(NCO)n1 T34948
CCC(=O)NC[C@@H]1C[C@H]1c1cccc2OCCc12 T3495
O.Cl.COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc(OC)c1OC T34950
COc1cc2CCN(C)CC(c3ccccc3)c2cc1OC T34951
[H][C@]12CC[C@]([H])(C1)[C@@]1([H])CN(C[C@@]21[H])NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O T34955
CC(NC(=S)Nc1ccccc1OC(F)(F)F)C(N1CCOCC1)c1cccs1 T34956
Unknown T34958
[H][C@]12CCC([H])([C@@H](CN(CCS)CCNCCS)[C@H](C1)c1ccc(Cl)cc1)N2C T34959
CC(C)N1\C(SCN(C1=O)c1ccccc1)=N\C(C)(C)C T3496
COc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC T34960
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O T34962
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O T34964
Cc1ccccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1 T34967
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1 T34968
Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O T3497
[H][C@]12CCCN1Cc1c(C2)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 T34970
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 T34972
Oc1ccc(C=C(C#N)C#N)cc1 T34973
Cl.CCN(CC)CCOc1ccc(cc1)C1=C(Cc2cc(OC)ccc12)c1ccccc1 T34975
CCC(=O)N(C1CCCC1N(C)C)c1ccc(Cl)c(Cl)c1 T34977
CCC[C@@H]1C[C@H](N(CCO)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O T34978
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 T3498
O=c1cc(oc2c3ccccc3c(cc12)-c1ccco1)-c1ccncc1 T34980
N#Cc1ccc(OCCCN2CCCCC2)cc1 T34981
CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1 T34982
COc1ccc2Cc3ccccc3CC(CNC(C)=O)c2c1 T34983
COc1ccc2Cc3ccccc3CC(CNC(N)=O)c2c1 T34984
COc1cccc(c1)N(C)CCNC(C)=O T34985
ClC1\C(C=CC2=C1NC=CN2)=N\C1=NCCN1 T34986
Cl.C[C@H]1c2cc(C)c3NC(=O)C(C)(C)c3c2O[C@@]1(C)CN T34987
CC(C)c1[nH]c2ccccc2c1Cn1ccnc1 T34988
COc1cc2ncnc(N3CCC(CCN4CCCS4(=O)=O)CC3)c2cc1OC T34989
N#Cc1ccc(cc1)-c1csc(NN=C2CCCC2)n1 T3499
CCCCCCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl T34990
COCc1nnc(-c2ccc[n+]([O-])c2)n1-c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 T34993
CSc1ccc(Oc2ccc(cc2CN(C)C)S(N)(=O)=O)cc1 T34994
CC(OC(C)=O)OC(=O)C(C)c1ccc(c(F)c1)-c1ccccc1 T3500
CCCCCCCCOc1ccc(N)cc1CNC(N)=O T35001
NC(=S)NC1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O T35002
N#CN\C(NCCSc1ccccc1)=N/CCCCc1cnc[nH]1 T35003
N#C/N=C(NCCSC1=CC=CC=C1)\NC[C@@H]2C[C@@H](C3=CNC=N3)CC2 T35004
Oc1nc(S)nc2Oc3nc(S)nc(O)c3C(c3ccc(cc3)[N+]([O-])=O)c12 T35006
COc1c(Cl)ccc(Cl)c1C(=O)OCc1cccc(Cl)c1 T35007
COc1cc(C)cc(C)c1NC(=O)CCN1CCCCC1C T35009
CCN[C@@H](C(C)C)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O T35010
CC(C)C\[N+]([O-])=N\C(=C)C(O)=O T35011
CC(C)C(N)C(=O)NC(CC1CN2C(CC2=O)O1)C(O)C(O)=O T35012
CC(C)(C)C(=O)C(Cn1ccnc1)Oc1ccc(Cl)cc1Cl T35013
CCCC(CCC)C(=O)OC(C)OC(=O)OCC T35014
CCCC(CCC)(CCC)C(N)=O T35015
Nc1ccc(OCCCCCNC(=O)CCCCc2ccccc2)cc1 T35016
CCCC(C)(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 T35017
CCCC(Cl)C(=O)Nc1cccc(OC(=O)NC)c1 T35018
CCC(C)(C)C(NC1=CC=CC(OC(NC)=O)=C1)=O T35019
COc1cccc(\C=N\c2cccc(C(O)=O)c2C)c1O T3502
CCCC(C)C(=O)Nc1cccc(OC(=O)NC(C)C)c1 T35020
CCCC(C)C(=O)Nc1cccc(OC(=O)NC(C)CC)c1 T35021
CCCC(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 T35022
CC(C)[C@H]1CC[C@@]2(C)CCCC(=O)[C@]2(C)C1 T35023
CC(O)CCC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T35024
Nc1ccc(OCCCCC(O)=O)cc1 T35025
COc1cc(N)ccc1OCCCCC(=O)c1ccccc1 T35026
CCOC(CCCCOc1ccc(N)cc1OC)(OCC)c1ccccc1 T35027
FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 T35028
CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)OCC(CO)OCn1cnc2c1nc(N)[nH]c2=O T35029
CC(C)[C@@H](COC(=O)[C@@H](NC=O)C(C)C)NC=O T35030
CC(C)[C@H](N)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T35031
CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O T35032
CC(CC(C(N)=O)(c1ccccc1)c1ccccn1)N(C)C T35033
CNC(=O)[C@H](C)S(=O)(=O)CCOP(=S)(OC)OC T35034
CNC(=O)C(C)S(=O)CCSP(=O)(OC)OC T35035
Clc1ccc2sc(=S)[n-]c2c1.CCCCCCCCCCCC[n+]1ccccc1 T35036
OC(C1=CC=C(O)C(OC)=C1)C(O)=O T35037
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O T35040
OC(=O)CCCCOc1cccc(O)c1C=O T35044
Nc1c2C(O)CCCc2nc2ccccc12 T35045
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@H]3C[C@H]12 T35047
CCC(C)Cn1c2nc(C)[nH]c2c(=O)n(C)c1=O T35048
Oc1cc(O)c2C(=O)c3c(O)c4[C@@H]5C=CO[C@@H]5Oc4cc3C(=O)c2c1 T35049
CC(C)(C)OC(=O)NCC1(O)CNC1 T3505
Cl.OC1CCCCC1N1CCC(CC1)c1ccccc1 T35050
C[C@@H]1CC(O)C=C(C)[C@@]11CCC(C1)=C(C)C T35051
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1 T35052
CC(C)(C)C(O)(COc1ccc(Cl)cc1)Cn1cncn1 T35053
[H][C@]12N(C)c3ccccc3[C@]11C[C@@H]3N4C\C(=C\C)[C@H](C[C@@]24[H])[C@@]3([C@H]1O)C(=O)OC T35055
[H][C@@]12CCCN3CCc4c(n([C@H](O)C1)c1ccccc41)[C@]23[H] T35056
CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 T3506
N[C@@H](CCSC=C)C(O)=O T35061
O=c1c2ccccc2c2ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc1c2c37)c4c56 T35063
C(Oc1cncc(c1)C#Cc1ccccc1)[C@@H]1CCN1 T35068
COC(=O)C1(CO)C2Cc3c(C4CC1\C(CN24)=C/C)n(C)c1ccccc31 T35069
Clc1cnc(cn1)C#N T3507
C[C@H](O)\C=C/C\C=C/C\C=C/CCCCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O T35070
CCCCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1 T35072
OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O T35073
Unknown T35076
Cc1nc2ccccc2nc1N\N=C\c1ccc(O)cc1 T35077
CC(C1Nc2ccccc2C(=O)N1c1ccc(C)cc1)c1ccccc1 T35078
Fc1ccc(cc1)-c1nc(Nc2nc3ccccc3o2)ncc1C#N T35079
CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1 T3508
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1 T35081
O=C(NC1=CC(OC(F)(F)F)=CC=C1N2N=CN=C2)C3=CC=C(OC)C(OC)=C3 T35082
C(CCNC1CCCCC1)CCc1cnc[nH]1 T35083
CN(C)CCCCCc1cnc[nH]1 T35084
O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 T35086
Unknown T35087
O=C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(O)=O)=O)[C@H](CCC(OC(C)(C)C)=O)N T35088
NCCCCNS(=O)(=O)c1ccc2ccccc2c1 T35089
ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 T3509
Cl.CCN(CCCl)CC(=O)Nc1c(C)cccc1C T35090
COCCN(C)CC(=O)Nc1c(C)cccc1C T35093
NCCN(CCNC\C=C\c1ccc(Cl)cc1)S(=O)(=O)c1cccc2cnccc12 T35094
NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 T35095
Cl.Cl.COc1cc2oc(=O)c3CN(CCN4CCCCC4)CCc3c2cc1OC T35097
Clc1ccc(cc1)S(=O)(=O)\N=C1/CCCCN1CCc1ccccc1 T35098
[O-][N+](=O)c1ccc(CCN2CCCC\C2=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 T35099
CCCCCCCCCCCCCCOc1ccc(o1)C(=O)OCC(=O)N(C)CC(=O)OCC T3510
COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(O)=O T35100
COc1ccc2c(n1)sc1nc(cn21)-c1ccc(F)nc1 T35101
COc1ccc2c(n1)sc1nc(cn21)-c1ccc([18F])nc1 T35102
CN1C(C(=O)Nc2ccccc2)=C(O)c2ccccc2S1(=O)=O T35103
COc1ccccc1N1CCN(CC(C(=O)NC(C)(C)C)c2ccccc2)CC1 T35104
OC(=O)CCCN(Cc1cccc2ccccc12)Cc1cccc2ccccc12 T35105
CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1OCC1CC1 T35106
CC1(C)Oc2ccc(OC(F)(F)F)cc2C(C1O)N1Cc2ccccc2C1=O T35107
Clc1cccc2cc(CC3=NOS(=O)N3)ccc12 T35108
CN(CCC(Oc1ccccc1)Oc1ccc(NS(C)(=O)=O)cc1)Cc1ccc2ccccc2n1 T35109
CSc1ccc(Cn2[nH]c(=O)cc2C(F)(F)F)cc1 T35110
CN(CCCOc1ccc(NS(C)(=O)=O)cc1)Cc1ccc2cc(NS(C)(=O)=O)ccc2n1 T35111
[Na+].CC(C(=O)N(C)[O-])c1ccc2cc(OCc3nc4ccccc4s3)ccc2c1 T35112
COc1cc(OC)c(NC(=S)Nc2ccc(NC(=O)c3ccccc3F)cc2Cl)cc1Cl T35113
CN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1nc2ccccc2n1C T35114
Nc1c(Cl)cccc1-c1c[nH]cc1Cl T35115
Cl.O=C1CSC(=O)N1Cc1ccc2NC(=O)\C(=C/c3cc(CN4CCOCC4)c[nH]3)c2c1 T3512
C(CNCC1COc2ccccc2O1)COc1ccccc1 T35120
Cc1cc(N(CCCl)CCCl)c2ccccc2c1 T35121
CCC(C)(C)S(=O)(=O)CCCNCC1COc2ccccc2O1 T35122
Cl.COCCOCCCNCC1COc2ccccc2O1 T35123
Cl.CC(Cc1ccccc1)NCCN1CON=C1c1ccccc1 T35124
Clc1ccccc1C1=NCc2nnc(C3CCOCC3)n2-c2sc(Br)cc12 T35125
OCc1nnc2[C@H](O)N=C(c3cc(Br)sc3-n12)c1ccccc1Cl T35126
Clc1ccccc1C1=NCc2nnc(C3CC3)n2-c2sc(CCC(=O)N3CCOCC3)cc12 T35127
Clc1ccccc1C1=NCc2nncn2-c2sc(CCC(=O)N3CCOCC3)cc12 T35128
CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 T3513
O[C@@H]1OCC=C2CN3CC[C@@]45[C@H]3C[C@@H]2[C@@H]1[C@@H]4Nc1ccccc51 T35132
CC(C)C[C@H](N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O T35134
Cl.Cl.Cl.CN(CC(=O)Nc1nc(c[nH]1)-c1ccccn1)c1c(C)cc(C)cc1C T35135
COc1cc(NC(C)CCCN)c2ncccc2c1Oc1ccc(F)cc1 T35138
CCNC(=O)Nc1ccc(cc1)-c1nc2c(CS(=O)(=O)C2(C)C)c(n1)N1CCOC[C@@H]1C T3514
Cl.CC(C)[C]1(OCCN(C)C)=CC=C(C)C(O)=C1 T35140
CCOC(=O)[C@@H](NC(=O)CS[P@](C)(=S)OCC)C(C)C T35142
O=C1CC2C(CC(=O)N1CCCCN1CCN(CC1)c1ncccn1)C1C3C4CC1C2C34 T35143
Cc1cn2c(n1)n(C)c1nc[nH]c1c2=O T35144
Cc1cn2c(n1)n(C)c1n(cnc1c2=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T35145
CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1cnc2c1n(C)c1nc(C)cn1c2=O T35146
C=CC(NC1=CC=CC(OC2=NC(NC3=CC=C(C=C3O)N4CCN(CC4)C)=NC=C2Cl)=C1)=O T35147
C=CC(NC1=CC=CC(SC2=NC(NC3=CC=C(C=C3O)N4CCN(CC4)C)=NC=C2Cl)=C1)=O T35148
[H][C@@]12CC[C@H](CC)[C@@]1([H])C=C[C@@H](\C=C\C=C(/CC)[C@@H]1O[C@]([H])(CC[C@@H]1C)[C@@H](C)C(O)=O)[C@H]2C(=O)c1ccc[nH]1 T35149
O=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1 T35150
[Na+].[Na+].OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc([O-])c(c3)C(O)=O)cc2)ccc1[O-] T35151
FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1 T35152
OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1 T35153
[Na+].CC(C)Oc1ccc2oc3ccc(cc3c(=O)c2c1)C([O-])=O T35154
CC(C)Oc1ccc2oc3ccc(cc3c(=O)c2c1)C(O)=O T35155
COCCCn1c2nc[nH]c2c(=O)n(C)c1=O T35156
ON=c1c2ccccc2oc2ccccc12 T35157
O=C(N[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@@H]2C=CC=C[C@H]2Oc2ccccc12 T35158
Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CC=C)-c1ccccc1 T35159
Cn1c(CCCCCCC(=O)NO)nc2cc(ccc12)N(CCCl)CCCl T3516
CCOC(=O)C[C@H](NC(=O)CCC(=O)Nc1ccc(cc1)C(N)=N)C#C T35161
Cl.CCOC(=O)C[C@H](NC(=O)CCC(=O)Nc1ccc(cc1)C(N)=N)C#C T35161L
[Na+].CCC(C([O-])=O)c1ccc(cc1)-c1ccccc1 T35162
CC(=O)\C=C(/C)c1ccc(cc1)-c1ccccc1 T35164
COc1cc(O)ccc1C\C=C\c1ccc(O)cc1 T35166
CCC(C(=O)SCCN(CC)CC)c1ccc(cc1)-c1ccccc1 T35167
Cl.CCC(C(=O)SCCN(CC)CC)c1ccc(cc1)-c1ccccc1 T35167L
O=CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C=O T35168
C\C=C\CC(C(O)=O)c1ccc(cc1)-c1ccccc1 T35169
CCN(CC)CCOC(=O)c1cccc(c1O)-c1ccccc1 T35170
C[N+]1(Cc2ccc(cc2)-c2ccccc2)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c1ccccc1 T35171
[H][C@@]12CC(=O)C(C)=C1C[C@]1([H])C(=C)C(=O)O[C@@]1([H])C[C@@H]2C T35174
C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21 T35175
Cc1cccc(OCC(O)CNC(C)(C)C)c1C T35176
Cc1cc(O)c(cc1C)C1CC2CCC1(C)C2(C)C T35177
F.CCCCCCCC\C=C/CCCCCCCCN(CCO)CCO T35178
CN1CCC\C1=N\C(Nc1c(C)cccc1C)=[O]C1CCN(C)\C1=N/C(=O)Nc1c(C)cccc1C T35179
CC(C(O)=O)c1ccc(cc1)C1CCC\C(C1)=N/O T35180
COc1ccc(CN2CCN(CC(O)c3cc(Cl)c(N)c(Cl)c3)CC2)c(OC)c1OC T35181
Cc1ccc(Cn2nc(C(O)=O)c3ccccc23)c(C)c1 T35182
CC1(C)COC(N)=N1 T35183
CC(C)NCC(O)COC(c1c(C)cccc1C)c1c(C)cccc1C T35184
Cl.CC(C)NCC(O)COC(c1c(C)cccc1C)c1c(C)cccc1C T35184L
[H][C@@]12[C@H](C)CC(=C)C[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 T35185
CS(O)(=O)=O.C[C@H]1CC(=C)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc24)[C@H]13 T35185L
COc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccccc3)[nH]c2=O)cc1 T35186
CCC(CC)C[C@H]1NC(=O)N[C@H](CC(CC)CC)[C@H](O)[C@H]1O T35188
Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc1c(Cl)cccc1Cl T35189
[H][C@@]12CCC(=C)[C@]1([H])[C@@]1([H])OC(=O)[C@H](C)[C@]1([H])[C@H](O)CC2=C T35190
O[C@H]1[C@@H](Cc2ccoc2)NC(=O)N[C@H](Cc2ccoc2)[C@@H]1O T35191
CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O T35192
CC(C)N(C(=O)CCl)c1cccc(C)c1C T35194
COc1cccc(OC(C)CNC(=N)Cc2cccc(C)c2)c1 T35195
CCN(CCCl)Cc1ccccc1C T35196
Cl.Cc1cccc(C)c1Nc1nccs1 T35197
Cc1ccc(cc1)C(N)N T35198
Cc1cccc(C)c1OCC[N+](C)(C)C T35199
OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 T3520
Cc1cc(C)cc(c1)-c1c(O)c2ccccc2oc1=O T35200
Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1 T35201
[H][C@]12CC(=O)O[C@H](C)[C@@]1([H])[C@H](O)O[C@@H](OC)[C@@H]2C(=O)OC T35202
Cc1cccc(C)c1NC1=NCCN1 T35203
O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)CO1 T35204
OCc1cc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O T35205
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O T35206
OC[C@H]1O[C@@](CO)(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O T35207
N[C@@H](COC1OC[C@@H](O)[C@H](O)[C@H]1O)C(O)=O T35208
Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O T35209
CN(C)CCOCCOC(c1c(C)cccc1C)c1c(C)cccc1C T35210
OCC([C@H]([C@@H](CO)O)O)=O T35211
C[Si](C)(C)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O T35212
Cc1ccc(c(c1)C)N=C=S T35213
CNC(=O)Oc1ccc(C)c(C)c1 T35214
Cc1cc(C)n(CCO)c(=O)n1 T35215
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 T35216
CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)[C@H](N)C(C)C)[C@H]1Cc2cccc(O)c2C(=O)O1 T35218
C[C@H](N)C(=O)C[C@H](N[C@H]1[C@H]2[C@H](O)[C@@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl)C(N)=O T35219
C[C@H](N)C(=O)N[C@@H]1[C@@H]2C[C@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl T35220
Cc1cc(C)c([C@@H](O)c2cc(ccc2C)-n2ccnc2)c(C)c1 T35222
Cl.CCCCn1c(C)c(C(=O)NC2CCN(CCc3ccccc3)CC2)c2cc(O)ccc12 T35223
Cc1cc2NC(=O)CCc2c2[C@@H](N)CCCc12 T35224
Cl.CCCCN1CCC[C@@H]1CNC(=O)c1cc(cc2C[C@@H](C)Oc12)S(N)(=O)=O T35225
[Na+].Cc1ccc(cc1C(O)c1c(C)cc(cc1C)C([O-])=O)-n1ccnc1 T35226
CC(CN(C)C)Oc1ccc(cc1)-c1nn(CC(O)=O)c2ncccc12 T35227
NCC1CN(CCO1)c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 T35228
OC(=O)\C=C\C(O)=O.O=C1CSC2(CCN(C[C@H]3COc4ccccc4O3)CC2)N1 T35229
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCS(=O)(=O)Cc2ccccc2)CC1 T35230
C[C@@H]1CC(=O)NN=C1c1ccc2N(C)C(=O)CCc2c1 T35231
CN(C)CCN1CCC2(CC1)SCC(=O)N2c1ccccc1 T35232
CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C T35236
CC[C@H]1C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 T35237
Br.O[C@H]1CCCN[C@@H]1CC(=O)Cn1cnc2cc(Br)c(Cl)cc2c1=O T3524
CN(C)[C@H]1CCc2ccccc2[C@H]1OC(=O)c1ccccc1 T35240
CC(C)(C)NC[C@H](O)COc1cccc2C=CCc12 T35241
CC1=C(C(C(C(=O)OCCc2ccccn2)=C(C)N1)c1ccccc1Cl)C(=O)Nc1ccccc1 T35242
Oc1ccc2ccccc2c1\C=N\N=C\c1c(O)ccc2ccccc12 T35247
CC(O)[C@@]1(O)C[C@@H](O)[C@H](O)O[C@@H]1C T35248
CC(=O)CCN1CCC2=C(C)c3ccccc3[C@@H]2C1 T35249
C\C(=C/[C@@H](O)[C@H](O)C(C)(C)O)[C@H]1CCC(C)=CC1 T35250
Cl.COc1ccccc1OCCNC[C@H](O)c1ccc(C)c(c1)S(N)(=O)=O T35252
Oc1cccc(c1)-c1cn2c(n1)sc1ccccc21 T35253
COc1ccccc1OCCNCCc1ccc(C)c(c1)S(N)(=O)=O T35254
OC(=O)CC(=O)Oc1cccc(c1)-c1cn2c(n1)sc1ccccc21 T35255
CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(C3SCCS3)=C(N2C1=O)C(O)=O)c1csc(N)n1 T35257
CCCc1c(OCCCSc2nnc(SCC(O)=O)s2)ccc(C(C)=O)c1O T35258
CC(C)(CCCCOc1ccc(OCCCCCn2ccnc2)cc1)C(O)=O T35259
[C@H]1(CC[C@H](c2ccccc12)c1cc(c(cc1)Cl)Cl)N.Cl T3526
Nc1nc(cs1)C(=N/O)\C(=O)NC1C2SCC(C3SCCS3)=C(N2C1=O)C(O)=O T35260
CCOC(=O)C(C)(C)CCCCOc1ccc(OCCCCCn2ccnc2)cc1 T35262
C[C@H]1CC[C@H](CC1)C(C)(C)Oc1ccc(cc1)N1CCCCC1 T35263
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 T35264
O=c1[nH]c(=O)n(Cc2ccc(OC\C=C/COc3ccc(Cn4oc(=O)[nH]c4=O)cc3)cc2)o1 T35265
CO\[N+]([O-])=C\C(=O)NCCCC(N)=O T35266
OC[C@@H]1O[C@@H](Oc2ccc(O)cc2C(=O)Nc2ccc(O)cc2C(O)=O)[C@@H](O)[C@H](O)[C@H]1O T35267
CC(=O)O[C@H]1C[C@](C)(O)[C@@]23O[C@@H]2[C@@H]2O[C@]2(C)[C@@H]3[C@H]2OC(=O)C(=C)[C@H]12 T35268
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)C=CC1=O)OC(=O)C3=C T35269
N(C(=O)Nc1ccc(cc1)C(=O)/C=C/c1cccc(n1)N1CCOCC1)CCN1CCOCC1 T3527
Cl.CS(=O)(=O)OCCCNCCCOS(C)(=O)=O T35271
FC(F)(F)Oc1ccccc1-c1nnc(o1)C#Cc1cccnc1 T35273
CC([O-])C[N+](C)(C)NC(=O)C(C)=C T35274
CC(SC(=O)c1cccs1)C(=O)N1CSCC1C(O)=O T35275
Cl.CNC(C)CC(O)(c1ccccc1)c1cc(OC)ccc1OC T35276
Cl.CCN(CC)C(C)CC(O)(c1ccccc1)c1cc(OC)ccc1OC T35277
[I-].COc1ccc(OC)c(c1)C(O)(CC(C)[N+](C)(C)C)c1ccccc1 T35278
NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 T3528
Br.Oc1cc2CCNC(Cc3ccc4ccccc4c3)c2cc1O T35280
CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 T35282
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 T35285
NA T35286
CC(=O)N[C@@H](CSC(C)=O)C(=O)Nc1ccc(O)cc1 T35287
OCCSCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 T35288
CS(=O)(=O)c1ccc(C[C@@H](N)[C@H](O)C(=O)NC2(CCCC2)C(O)=O)cc1 T35289
Cl.CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O T3529
[Cl-].CO[Si](CCC[N+](C)(C)CCOC(=O)C(C)=C)(OC)OC T35290
COc1ccc(C\C=C/F)cc1OC T35291
CN(C)CC\C=C1\c2ccccc2CC(O)c2ccccc12 T35292
Cl.O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 T35294
Cl.Oc1ccc(cc1O)[C@@H]1CNCc2c(O)c(O)ccc12 T35298
OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O T35299
OCC1(CO)CN[Pt++]2(NC1)[O-]C(=O)C1(CCC1)C(=O)[O-]2 T35300
[H][C@]12CC[C@]([H])(C[C@H](C1)OC1c3ccccc3N(C)S(=O)(=O)c3ccccc13)N2C T35302
c1c2C[N@@]3CC[C@H]4[C@@H]3[C@H](c2cc2c1OCO2)[C@H](O)[C@@H](O)C4 T35303
CC1(C)CN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1 T35304
CC(=O)O[C@H]1CC[C@]23O[C@@H]2[C@@H](OC3=O)c2c(C)coc2C=C1C T35305
OC(=O)[C@H](CCC#C)NC(=O)OCc1ccccc1 T35306
CN1CCN(CC1(C)C)[C@@H]1C[C@H](c2ccc(Cl)cc12)c1ccccc1 T35307
[Zn++].CCCCCCCCCC([O-])=O.CCCCCCCCCC([O-])=O T35308
CCOC(=O)Nc1c2sscc2n(-c2ccc(OC)cc2OC)c1=O T35309
CCn1c2ccc(COc3cc(F)cc(c3)C3(CCOCC3)OC)cc2ccc1=O T35310
[O-][N+](=O)c1ccc2OC(CN(c2c1)c1cccc[n+]1[O-])(C(F)F)C(F)F T35311
O=C1CN=C(C2=CC=CC=C2F)C3=C(N(C)N=C3C)N1C T35313
COc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1 T35314
COc1ccccc1N1CCN(CCc2oc(=O)[nH]c2-c2ccc(F)cc2)CC1 T35315
O=C1CN=C(C2=CC=CC=C2F)C3=C(N(C)N=C3C)N1C T35316
OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 T35317
C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C T35318
[Mg++].CC(=O)NC(CC(O)=O)C(=O)NC(CCC(O)=O)C([O-])=O T35319
Cc1occc1C(=O)n1ccnc1 T3532
C[C@H]1[C@H]2[C@@H](Cc3ccccc3)NC(=O)[C@]22[C@@H](C=CC[C@H](C)C(=O)[C@](C)(O)C=C[C@H]2O)[C@H](O)C1=C T35320
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C[C@@H](O)CC[C@]12C T35321
COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl T35322
CC(C)(C)OC(=O)N[C@@H](CSCC#C)C(=O)OCc1c(no[n+]1[O-])-c1ccccc1 T35323
Cl.CC(CCc1ccccc1)NCC(=O)c1ccc(O)c(c1)C(N)=O T35326
Cl.Cl.C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 T35328
[Na+].NS(=O)(=O)c1cc(C([O-])=O)c(NCc2ccco2)cc1Cl T35336
COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC T3534
C[C@@H](COCC1)N1c1nc(N2C3COCC2CC3)c(ccc(-c2cccc(C(NC)=O)c2)n2)c2n1 T35343
Cl.Cl.C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 T35348
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 T3535
C[Si](C)(C)O\C(=N/[Si](C)(C)C)C(F)(F)F T35354
Nc1ccc(Oc2ccc(cc2)-c2ccc(Oc3ccc(N)cc3)cc2)cc1 T35355
NS(N)(=O)=O T35357
Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C T35358
OC(=O)c1cccc(Oc2ccccc2)c1 T35359
CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 T3536
CN(C)C(SS1)=NC1=NCC2=CC=CO2.[H]Br T35362
Nc1nc(=O)[nH]cc1CO T35363
CCCCCCCCCCCCCCC(Br)C(O)=O T35364
[O-][N+](=O)c1cc[n+]([O-])c2ccccc12 T35366
CC(N)=S T35367
O.[Na+].NC(CCC(O)=O)C([O-])=O T35369
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 T3537
O.O.[Zn++].CC([O-])=O.CC([O-])=O T35375
[Mg++].[Cl-].[Cl-] T35376
O=C1NC[C@@H](C)OC2=NC=C(F)C=C2CN3C4=NC5=C1C=NN5C=C4O[C@@]6([H])[C@]3([H])CCC6 T35384
NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 T3539
COc1cc(\C=C2/SC(=S)NC2=O)ccc1OCC(O)=O T3540
N/A T35407
CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1ncn[nH]1 T3541
CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 T3542
N/A T35427
Nc1nc2cc(ccc2n1Cc1ccc(Cl)cc1)C(F)(F)F T3543
Nc1nc(N2CCC(C)(N)CC2)cnc1c1cccc(Cl)c1Cl.Cl T3544
COc1ccc(\C=C(\C#N)c2cccnc2)cc1OC T3545
CCN(CC)N=O T35455
OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 T3546
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 T3547
NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O T3548
Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O T3549
[Ca++].CC(C)(CO)C(O)C(=O)NCCC([O-])=O.CC(C)(CO)C(O)C(=O)NCCC([O-])=O T3551
CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 T3552
N/A T35528
Cc1cccc(COc2cccc(C=C3C(=O)NN(C3=O)c3ccccc3)c2)c1 T3553
Clc1cc(Cl)cc(\C=C(\C#N)c2cccnc2)c1 T3554
COc1cc(NC(=O)c2cc(on2)C2CC2)c(OC)cc1Cl T35544
OCCNC(C1=CC(N=C(NC2=CC(Cl)=CC=C2)C3=CC=NC=C34)=C4C=C1)=O T35557
FC(F)(F)c1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1 T3556
CCCNc1nc(NCCC)nc(n1)N(C)OC T3557
N/A T35570
COc1cc2ncnc(N(C)c3cccc(Br)c3)c2cc1OC T3558
C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C\C(O)=O T3559
Oc1ccc(cc1)-c1cc(=S)ss1 T3560
CC(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C T3561
Cc1ccc(C)c(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F T35610
CCCC(CCC)C(=O)NCC(N)=O T3562
CCC(C)NC(=O)/C=C/c1cc(c(cc1)Cl)Cl T3563
CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl T3564
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=S)[nH]c1=O T35648
C1CC[C@H]([C@H](C1)C(=O)Nc1cc(cc(c1)Cl)Cl)C(=O)O T3565
Fc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 T3566
Brc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 T3567
CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 T3568
COc1ccccc1\C=C1\C(=O)Nc2ccccc12 T3569
CN(C)c1ccc(C=C2C(=O)Nc3ccccc23)cc1 T3570
Clc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1Cl T3571
Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 T3572
N#CSCSc1nc2ccccc2s1 T3573
Cl.CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 T3574
Cl.CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 T3575
CCCc1c(nc2c(c[nH]n2c1=O)C#N)-c1ccccc1 T3576
Cc1ncc(c(c1O)C=O)COP(=O)(O)O T3578
[Ca++].Cc1ncc(COP([O-])([O-])=O)c(C=O)c1O T3578L
[Na+].COc1ccc(OC(C)C([O-])=O)cc1 T35795
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O T3580
Cl.Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O T3580L
OCCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 T3581
C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc([N+]([O-])=O)c3s2)C(F)(F)F)O1 T3582
[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F T3583
CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 T35841
COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1 T3585
N/A T35856
O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1 T3586
CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 T3587
NCCCNC1CCCCC1 T35878
CCOc1ccc(Nc2nc(cs2)-c2c(C)nc3ccccn23)cc1 T3588
[Na+].[O-]C(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1 T3589
OC(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1 T3590
CC(C)n1ncc(-c2c(C)cnc(Nc3cc(CCN(C4)C(/C=C/CN(C)C)=O)c4cc3)n2)c1 T35900
O=C(Nc1cccc(c1)-c1ccccc1)OC1CCCCC1 T3591
[Br-].CCOC(=O)C[n+]1cccc2cc(OC)ccc12 T3592
COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC T3593
COc1ccc(\C=C\C=C2C(=O)NC(=O)NC2=O)cc1 T3594
CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O T3595
N/A T35951
CN(C)c1ccc(\C=C\C(=O)c2ccc(Br)s2)cc1 T3596
Cl.Cl.COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC T3597
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 T3598
OCc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1 T3599
COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C T3600
Ic1ccccc1C(=O)Nc1ccccc1 T3601
[Na+].CC(C)(CO)C(O)C(=O)NCCC([O-])=O T3602
[Na+].CCCCCCCCCCCCOC(=O)CS([O-])(=O)=O T3603
C(/C=C/CCC1=CC=CC=C1)(=O)C2=CC=CS2 T36036
[Na+].[O-]C(=O)C(Cl)Cl T3604
[Ca++].NC(N)=O.CC(=O)Oc1ccccc1C([O-])=O.CC(=O)Oc1ccccc1C([O-])=O T3608
CC(CN1c2ccccc2S(=O)(=O)c2ccccc12)N(C)C T3609
CNC(NCCSCc1ccc(CN(C)C)o1)=C[N+]([O-])=O T3610
[Na+].OC1OC(C(O)C(O)C1O)C([O-])=O T3611
N[C@@H](CSCC(O)=O)C(O)=O T3612
OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl T36125
Clc1ccc(cc1)-c1ccccc1NC(=O)c1cccnc1Cl T36141
Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O T3615
CN1CC(O)C2=C\C(=N\NC(N)=O)C(=O)C=C12 T3616
C[C@H](CS(C)(=O)=O)n1ccc2c(c(ccc12)C#N)C(F)(F)F T3618
Cl.CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C T3619
CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 T3620
COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 T3624
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O T3625
CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 T3626
O\N=C1/c2ccccc2-c2nc3ccccc3nc12 T3627
COc1ccc2c(C)nc(Nc3nc(=O)c(C)c(C)[nH]3)nc2c1 T3628
N/A T36287
Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 T3631
Cn1c(Cn2ccc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O T3632
C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2cccnc2N(CCO)C1=O T3633
CC(=O)c1ccc(N\N=C(\C(N)=O)C2=NC(C)(C)Cc3ccccc23)cc1 T3635
Cl.COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12 T3636
Br.Cc1ccc(cc1)-c1cn2c3CCCCc3sc2n1 T3637
OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 T3638
C[C@H](N\C(NC#N)=N/c1cccc2ncccc12)c1ccccc1 T3639
CCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O T36404
Nc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)n1 T3641
CCn1cnc2c1nc(N)[nH]c2=O T36411
[O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(nc1)-c1ccc(OC(F)(F)F)cc1 T3642
COc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=C\c1cc[n+]([O-])cc1 T3643
CC(C)(C)OC(=O)c1ncn-2c1C(C)(C)Nc1ccccc-21 T3644
Cl.CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 T3645
COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c1ccc(cc1)C(=O)OC T3646
CCCCCCOc1cc(C)c(O)c(C)c1C T3647
Cl.OC1(Cn2ccccc2=O)CCN(Cc2ccccc2)CC1 T3648
Cl.Cl.N\C(=N/OCC(O)CN1CCCCC1)c1cccnc1 T3649
CC(=O)O.c1ccc2c(c1)nc1n2c(=O)c2cccc3c(ccc1c23)C(=O)O T3650
Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F T3651
CC1(C)N([O])C(c2ccccc2)=[N+]([O-])C1(C)C T36512
CNc1ccc(c(Nc2ccc3[nH]ncc3c2)n1)[N+]([O-])=O T3652
O=C(C1=C(NC(C2=CC=C(Cl)C=C2)=O)SC(C)=C1CC)OC T36520
Cc1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)cc1C T3653
C1CC1c1cc(Nc2ccnc(Nc3ccc4nc[nH]c4c3)n2)n[nH]1 T3654
COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN1CCCC[C@H]1C(O)=O T3655
Cc1onc(c1C(Cl)=O)-c1c(Cl)cccc1Cl T3657
CNc1ncnc2nc[nH]c12 T36572
N/A T36573
Nc1cc([S]=O)c2ccc3c(cc(c4ccc1c2c34)S([O-])(=O)=O)S([O-])(=O)=O T36587
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C T3659
ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl T3661
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 T3663
O=C(NCCC1CC1)C2=CC3=C(N(C(N4CC(C5)C5C4)=O)[C@@H](C)CC(N3)=O)C=C2 T36631
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O T3665
C\C=C\C#CC#C\C=C\c1ccco1 T3666
N/A T36670
COC1=CC=C(/C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1 T36674
Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O T3668
N/A T36682
O=C(O)C(C=1C=CC(=C2C=CC=CC21)C3CCCCC3)C T36683
C[C@H]1CC[C@H]2C(C)=C[C@@]3(O)O[C@@]12CC3=C(C)C T3669
N/A T36692
COC(=O)c1c(O)c2ccccc2c2OC(C)(C)C=Cc12 T3673
CC(C)(C)c1cc(O)cc(c1)C(C)(C)C T36735
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O T3675
Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 T36758
Oc1ccc2OCOc2c1 T3676
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 T3677
Cc1ccc(C=O)c(O)c1 T36786
OCc1ccccc1C(O)=O T36787
CC(=O)c1ccccc1C T36788
CC1CCCCC1=O T36789
CCCC(=O)c1ccc(F)cc1 T3679
CCOCc1ccccc1 T36790
COC(=O)CC1CC(=NO1)c1ccc(O)cc1 T3680
Oc1ccc(cc1)C1CCCCC1 T3681
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O T36816
Nc1cc2nc3ccccc3oc2cc1=O T36818
C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O T3682
Cn1cc(C2=C(C(=O)NC2=O)c2cccc(N)c2)c2ccccc12 T3684
N/A T36841
CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 T3685
OC1=CC(CC(OCC)=O)=C(C(C)=O)C(O)=C1 T36850
[Na+].C[C@]12CCC3C(CCc4cc(OS([O-])(=O)=O)ccc34)C1CCC2=O T36857
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])[H])(CCC2=O)[H] T36857L
[O-][N+](=O)c1ccc(Nc2ccccc2-c2ccccc2)c2nonc12 T3686
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(O)cc1=O T36866
CCCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 T3688
COc1ccc(CC(=O)NC(N\C(Nc2cccc3ncccc23)=N\C#N)C(C)(C)C)cc1OC T3690
CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#CC(C)(O)COC T3691
Oc1ccc2C(=O)c3ccccc3C(=O)c2c1 T36914
Nc1nc(N)c2ccc(Br)cc2n1 T3693
Clc1ccc(OC[C@H]2CCN2)cn1 T3694
CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 T36940
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O T36944
O=C(C1=CN=CC=C1)NC(C)CCN2CCN(C3=CC=C(F)C=C3)CC2 T36949
Cc1ccc(cc1)S(O)(=O)=O.Clc1ccc(OC[C@H]2CCN2)cn1 T3694L
N/A T36968
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O T36971
COc1cc(OC)c(\C=C\C)cc1OC T3698
FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1 T3699
Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@H]1CCCNC1 T3700
NC(=O)c1cccc2nc3ccccc3nc12 T37009
CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 T3701
CN(C)CCCN1C2=C(CCCCCC2)C3=C1C=CC=C3 T37015
C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO T3702
[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F T3703
CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1 T3705
CCN(CC)C[C@@H](O)CNc1ccc(NC[C@H]2CO2)c2C(=O)c3ccccc3C(=O)c12 T3706
FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 T3707
Cc1cc(C)nc(Nc2ccccc2)n1 T37071
COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 T3709
CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12 T3710
Oc1cccc2C(=O)c3ccccc3C(=O)c12 T37101
CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 T3712
Cc1c(NC(=O)c2cc(nc3cc(F)ccc23)C(N)=O)c(nn1Cc1ccc(cc1)C#N)C(F)(F)F T3713
CN(C1CCN(Cc2ccc(cc2)C(N)=O)CC1)C(=O)CNc1c(C)c(C)c(N)c(C)c1C T3714
NC(=O)N1c2ccccc2C2OC2c2ccccc12 T37149
OC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1 T3715
CC(C)c1cccc(=O)c(O)c1 T3717
C[C@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O T3718
CN(C)NC(=O)CCC(O)=O T3719
N[C@@H](CC=C)C(O)=O T37190
CC(=O)NCc1ccc(Cl)nc1 T37196
Cl.COc1cccc2CCC(N)Cc12 T37197
Cl.Clc1ccc(OC[C@H]2CCN2)cn1 T3720
COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC T3722
Cl.CC(CN1c2ccccc2S(=O)(=O)c2ccccc12)N(C)C T3723
SCCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(Cl)cc1Cl T3725
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1 T3726
Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 T37267
COC(=O)c1cc(OC)c(O)c(OC)c1 T3727
COC(=O)c1ccc(O)cc1 T3728
CCOC(=O)c1cc(O)c(O)c(O)c1 T3729
Cl.Cl.Nc1nsc2cc(Oc3ccccc3N)ccc12 T37292
OC(=O)[C@@H]1Cc2[nH]cnc2CN1 T37298
COC(=O)c1cc(O)c(O)c(O)c1 T3730
OC(=O)CCc1ccccc1 T3731
O=C(C(C[N+]([O-])=O)=NO)N1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3)CC1 T37314
C(CCCCC(=O)O)CCCC(=O)O T3732
COC(=O)\C=C\c1ccc(O)cc1 T3733
CC(=O)c1ccc(O)c(O)c1 T3734
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1 T37340
CC(=O)NCCc1ccc(O)cc1 T37341
Oc1cc(O)c2ccc(=O)oc2c1 T37345
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(Cl)ncnc12 T37348
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O T3735
CCCCCc1cc(O)cc(O)c1 T3736
OC(=O)CCc1ccc(O)cc1O T3737
OCCCc1ccc(O)cc1 T3738
COC1=CC(=O)C=C(OC)C1=O T3739
COc1ccc(C=O)cc1O T3740
CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2 T3741
Cc1cccc(O)c1O T3742
OC(=O)Cc1cnc([nH]c1=O)-c1cccnc1 T37424
OC(=O)Cc1ccc(O)cc1 T3743
COc1ccc(cc1OC)C(O)=O T3744
COc1ccc(O)cc1OC T3745
COC(=O)c1ccccc1C(=O)OC T3746
COc1cc(C=O)cc(OC)c1O T3747
Cc1cc(O)cc(O)c1 T3748
COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl T37482
Oc1cccc(O)c1O T3749
CC(=O)c1ccc(O)cc1 T3750
CCOCC(O)=O T37501
COc1ccc2COC(=O)c2c1OC T37508
CC(=O)c1ccc(O)cc1O T3751
O[C@@H]1CN[C@@H](C1)C(O)=O T37512
Cn1c(CO)ncc1[N+]([O-])=O T37514
OCc1ccc(O)cc1 T3752
COc1cc(\C=C\C(O)=O)cc(OC)c1O T3753
OCCCc1ccccc1 T3754
COc1cc(O)cc(\C=C\c2ccc(O)cc2)c1 T3755
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO T3756
CC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 T3757
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 T37571
COc1cccc(OC)c1C(O)=O T3758
COC1=C(C=C(C=C1)/C=C/C(=O)O)OC T3759
N/A T37596
COc1ccc(O)c(c1)C(C)=O T3760
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO T3761
OC(=O)\C=C\C(O)=O T3763
O=C1CCSC1 T37630
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO T3764
C5O[C@@H](c1ccc2OCOc2c1)[C@H]6CO[C@H](c3ccc4OCOc4c3)[C@@H]56 T3765
O[C@@H]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O T3766
C[C@H]1[C@@H](O)CC[C@H]2[C@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C T3768
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1 T37688
C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C T3770
OCC(Cl)(Cl)Cl T37709
Oc1ccc2NC(=O)Cc2c1 T37710
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O T3772
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T3773
N/A T37734
COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1OC T3775
CC(C)c1ncc(Cc2ccccc2)[nH]c1=O T37753
COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1O T3776
C\C=C(\C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21 T3777
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)c(O)c1)c2=O T3778
Cc1ccc2nc(C)ccc2c1 T37784
Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3F)c2n1 T37792
Cc1cc2nc(NC(N)=N)nc(C)c2cc1C T37793
NC1CCCCC1.O[C@@H]1[C@@H](O)[C@H](Oc2c[nH]c3cc(Cl)ccc23)O[C@@H]([C@H]1O)C(O)=O T37811
COc1cc2ccc(=O)oc2c(OC2OC(CO)C(O)C(O)C2O)c1O T3783
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)C=C\C2=C\C#N)[C@H](O)[C@@H](O)[C@@H]1O T3784
CN(Cc1ccc2OCOc2c1)C(C)=O T37859
CCCCCCCCCCCCn1ccnc1 T37885
CCCCCCCCCCCCCCCCCO T37886
Cl.ClCCN(Cc1ccccc1)Cc1ccccc1 T37906
[H][C@@]12C[C@@H](CC[C@](O)(CO)[C@@]1([H])CC(=O)[C@@]2(C)O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T3791
C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 T3792
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C=O T3796
COc1cc(ccc1O)C1Oc2ccc(cc2OC1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O T3797
FC1=C(N2CCN(CC2)(C)=O)C(OC[C@H](C)N3C=C(C(O)=O)C4=O)=C3C4=C1 T38003
[H][C@@](O)(COc1c2occc2c(OC)c2ccc(=O)oc12)C(C)(C)O T3801
COc1c2C[C@H](Oc2cc2oc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(=O)c12)C(C)(C)O T3805
N/A T38050
COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O T3806
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 T3807
COc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O T3814
COc1cc2oc(=O)ccc2cc1O T3815
CC(=O)N[C@H](CS)C(O)=O T38155
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(OC)c1 T3816
O=C(C=1C=CC2=C(N=CN2C3=CC=CC(=C3)C)C1)N4CCCCC4 T38163
CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO T3817
[Br-].C[N+](C)(CCO)CC#C T38173
COc1cc2oc(=O)ccc2c(OC)c1O T3818
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O T3819
Fc1ccc(cc1)S(=O)(=O)N1CCN2C(CCC2=O)C1 T38192
NCCCP(O)(O)=O T38205
COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O T3822
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O T3823
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F T38236
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O T38237
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1 T38238
OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1ccc(=O)[nH]c1=O T38239
COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1 T3824
Clc1cccc(Cl)c1Nc1ccccc1 T38240
C\C=C\C#CC#CC(O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\CCCO T3825
[Ca++].OCC1OC(C(O)C(O)C1O)c1ccc([O-])c2C(=O)c3c(O)cc(cc3C(=O)c12)C([O-])=O T3827
Clc1ccc(CN2CCS\C2=N/C#N)cn1 T38272
O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 T3828
OC(=O)c1cccc(c1)-c1cc(ncc1C(O)=O)C(O)=O T38293
Cl.Cc1ncc(CO)c(C)c1O T38294
COc1cc(O)c(c(OC)c1CC=C(C)C)-c1coc2cc(O)ccc2c1=O T3831
N[C@H](C(O)=O)c1ccsc1 T38311
COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4cc(O)c(O)c(O)c4)O[C@H]3c2c1O T3832
COc1cc(ccc1O)C1OCC(Cc2ccc3OCOc3c2)C1CO T3833
CC1CCC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O T3834
CC(=O)O[C@H](CCc1ccc(O)cc1)C[C@@H](CCc1ccc(O)c(O)c1)OC(C)=O T3835
N/A T38359
COc1ccc(cc1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(OC)c(OC)c1 T3836
O=C(NC1=CC=C2C(CCC2)=C1)CN3C4=CC=CC=C4N=C3CCN(C)C(C5=CC=CC=C5)=O T38361
COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O T3838
COc1cc2C[C@@](O)(CO)[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)c2cc1O T3839
Oc1ccc(CCc2cc(O)cc(O)c2)cc1 T3840
CS(=O)c1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1 T38400
CCOCC1=NC2=C(N1)C(N)=NC1=C2C=CC=C1 T38423
Oc1cc(O)cc(\C=C\c2ccccc2)c1 T3843
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 T3845
CC(C)=CCc1cc2C(=O)C[C@H](Oc2cc1O)c1ccc(O)cc1 T3846
O.O=CC(=O)c1ccccc1 T38465
CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 T3847
Cc1oc(C)c(c1C(O)=O)S(N)(=O)=O T38476
COc1ccc(C2COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3C2)c(O)c1OC T3848
OC[C@H]1O[C@@H](O[C@H]2COC(=O)C2)[C@H](O)[C@@H](O)[C@@H]1O T3849
O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O T3850
CC1=CN(C=N1)C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC1=CC=C(C)C(NC(=O)C2=CC=NO2)=C1 T38511
Nc1c2ncn(CCOCP(O)(O)=O)c2nc(N)n1 T38514
NC1=NC=C(N=C1NC1=CC=C2NC=CC2=C1)C1=CC=NC=C1 T38562
COc1ccc(cc1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1 T3857
Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl T38585
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OC T3859
CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O T3861
CC1=C(C)N2C=C(C=C(NCC3=C(C)C=CC=C3C)C2=N1)C(=O)NCCOC(=O)CCCC(O)=O T38612
COc1cc(cc(O)c1OC)-c1coc2cc(O)c(OC)c(O)c2c1=O T3862
COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O T3864
CC(C)(O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1 T3865
CN1C(=O)N(C(=O)N(C)C1=S)C1=CC2=C(OC(F)(F)C(=O)N2CC#C)C=C1F T38655
COc1cc(C[C@H](C)[C@H](C)Cc2ccc3OCOc3c2)ccc1O T3866
C[C@H]1OC(C)(C)N([C@@H]1C(O)=O)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc12 T38662
COc1cc(O)cc2O[C@@H](CC(=O)c12)c1ccccc1 T3867
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)cc4)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O T3868
OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1 T38684
OC[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O T3869
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 T3872
O[C@@H]1C=CC2=CC(=O)O[C@@H]2[C@H]1O T3873
COc1cc(OC)c(CCC(=O)c2ccc(O)cc2)c(OC)c1 T3876
COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@H]1CO T3879
COc1cc(ccc1O)[C@@H]1[C@H]2CO[C@]3(O)[C@H]2C(=CC1C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O T3880
CC(C)(C=Cc1c(cc2)OC)Oc1c2C(/C=C/c(cc1)ccc1OC)=O T38815
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C T3883
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 T3884
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1c(c1c2OCC1)cc(Cc1ccc(C3CC3)cc1)c2Cl T38843
C\C(C)=C\C[C@H](O)C(\C)=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T3885
O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC\C=C\c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O T3886
C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@H](CC1)C3=CC1=O)[C@H]2OC(C)=O T38862
OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC\C=C\c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O T3887
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T3888
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@H]12 T3890
COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc2oc(cc(=O)c2c1O)-c1ccccc1 T3891
CS(OCCOCCOCCOCCOC1OCCCC1)(=O)=O T38948
OCCCCCCN=[N+]=[N-] T38953
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O T3896
O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O T3899
Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1 T3900
COc1ccc(cc1OC)C(N)=O T39007
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O T3902
COc1c(O)cc2C[C@H](C)[C@H](C)Cc3cc(O)c(OC)c(OC)c3-c2c1OC T3904
C[C@H]1CC[C@]2([H])N(C[C@]([C@@](C[C@@](C[C@]3(C)[C@]4([H])C[C@H](O)CC3)([H])[C@@]5([H])C4=O)([H])[C@@]5([H])CC6)([H])[C@]6([H])[C@]2(C)O)C1 T39049
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc1cc(O)c(O)cc1c2=O T3905
CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 T3908
OC(=O)\C=C\C(O)=O.CC(N)CN1C=CC2=CC(F)=C(Cl)C=C12 T39161
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C T3917
COc1ccc(cc1O)-c1coc2cc(O)ccc2c1=O T3923
Nc1cccc(Nc2ncc(-c(cc3)ccc3Cl)o2)c1 T39233
COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1 T3926
[N-]=[N+]=NCCOCCOCCOCCOCCN=[N+]=[N-] T39268
COc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12 T3927
COC1=CC(N(C)CCN(C)C)=C(NC(=O)C=C)C=C1NC1=NC=CC(=N1)C1=CN(CC(F)(F)F)C2=CC=CC=C12 T39275
OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T3928
[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 T39280
CCN1CC2(CCN(CCC3=CC(F)=CC=C3F)CC2)O[C@H](C)C1=O T39284
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O T3929
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C T3930
COC(=O)CC(NC(=O)OC(C)(C)C)C(=O)CF T39308
CC(C)=CCc1c(O)ccc2C(=O)C[C@H](Oc12)c1ccc(O)cc1 T3931
Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1c(O)cccc1O T3932
COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4cc-23)cc1O T3933
O=C(NC(C)C)C1=CC=C(OC(F)F)C(OCC2CC2)=C1 T39341
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12 T3935
OC1OCC=C2OC(=O)C=C12 T3936
Cl.Cl.COC(=O)[C@@H](N)Cc1c[nH]cn1 T3937
Cl.N[C@@H](CCCCNC(N)=N)C(O)=O T3938
OC(C(=O)c1ccccc1)c1ccccc1 T3939
OC(=O)CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12)C(O)=O T3940
C[N+](C)(C)CCO.CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C([O-])=O T3941
CN1[C@@H]2C[C@@H](OC(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4)C[C@H]1CC2.[H]Cl T39429
CCCCCCCC(O)=O T3946
CCCCCCCCC(O)=O T3947
O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O T39477
CCCCCCCCCCC(O)=O T3948
CCCCCCCCCCCCCC(O)=O T3949
CCCCCCCCCCCCC(O)=O T3950
CCOC(c1cc(cc(cc2)O)c2n1CC(NCCN1CCCCC1)=O)=O T39508
Cl.Cc1ccc(\C=C2/CNC\C(=C/c3ccc(C)cc3)C2=O)cc1 T3951
C[C@H](CCCOc1c(Cn2c(-c3ccc(C(F)(F)F)cc3)ncc2C)cccc1)CC(O)=O T39516
C(CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1 T3952
CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 T3953
OCCNC(=O)CCCCCCCC(=O)NCCO T3954
Cc1ccc(cc1)C1=Nc2ccc(Cl)cc2OC1 T3955
O=C(N1CCCCC1)c1ccc2nonc2c1 T3957
Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1 T3958
Fc1ccc(cc1F)C(=O)Nc1cnc(Cl)nc1 T3959
OC1=CC=C(Cl)C=C1O T39598
Cc1cc(on1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F T3960
O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CC1 T3961
Clc1ccc(Cl)c(c1)C1=CC(=O)C=CC1=O T3962
CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1 T3963
O=C(c1cnn[nH]1)N(CC1CC2)CC2N1S(c1cc(F)ccc1)(=O)=O T39635
CN(C)c1ccc(cc1Br)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 T3964
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O T3965
CC(C)c1c(-c2cn3ncnc3c(C)c2C)[nH]c2c1cc(C1CCN(CC(N)=O)CC1)cc2 T39654
C[C@@H]1OCC(CC2)(CCN2c(nc2C)c(CO)nc2Sc2ccnc(N)c2Cl)[C@@H]1N T39658
CCC(CC)n1c2nc(cnc2[nH]c1=O)C#C T3966
CCCSSC T39668
CC(C)c1c(-c(cc2)cc(OC)c2OC)[nH]c2c1cc(C1CCN(CCNC)CC1)cc2 T39669
C(CN1CCCC1)Oc1nc2cccnc2nc1C#Cc1ccccc1 T3968
CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 T3969
OCCNC1CCCc2c1[nH]c1ccc(cc21)-c1ccccc1 T3971
Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1 T3972
CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1 T3973
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F T3975
CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC T3976
CN(c1c(C(N2C)=O)n(Cc3nnc(-c(cc4)cc(Cl)c4Cl)o3)c(N3CCNCC3)n1)C2=O T39785L
CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1 T3979
CC(C)c1cc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O T3980
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 T3981
COC(=O)C(=C1\OC(=O)C(=C1O)c1ccccc1)\c1ccccc1 T3982
CC(C)(CNC(=O)c1cccc(c1)-c1noc(n1)C(F)(F)F)c1coc(n1)-c1ccccc1 T3983
CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1 T39849
CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 T3985
O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1 T3986
CNc1nc(-c2cccc(NC(=O)c3ccc(cc3)C(=O)OC)c2)c2cc(OC)c(OC)cc2n1 T3987
CCCCCCCCCCCCCCOc1ccc(o1)C(O)=O T3988
O[C@@H](Cc1ccc(O)cc1)C(O)=O T39887
CCCOc1ccc(\C=C2/SC(=O)NC2=O)cc1 T3989
O=C(N1CCCC1)n1ccnn1 T3990
C(Nc1ncccn1)c1ccc(CNc2ncccn2)cc1 T3992
OC(c1cccc(-c2cnc(Nc(cccc3)c3F)o2)c1)=O T39924
COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 T3993
CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(O)=O T3994
CC(C)n1c2cc(-c(nc(N[C@H](CCOC3)[C@@H]3O)nc3)c3Cl)cc(F)c2nc1C(C)(C)O T39957
Cl.Cc1ccccc1N1CCN(CCc2nnc3CCCCn23)CC1 T3996
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)CNC(=O)c1ccncc1 T3997
CC1(C)n2nnnc2N(C)C(C)=C1C(Nc(cc1)cc2c1[nH]nc2-c1ccccc1)=O T39972
NC/C=C(F)/CS(=O)(C1=C2N=CC=CC2=CC=C1)=O.[H]Cl.[H]Cl T39986
Cl.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O T3999
COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC T3A2467
Oc1c(cc2ccccc2c1\N=N\c1ccccc1)C(=O)Nc1ccccc1 T3O2709
CC(C)C[C@H](N)C(O)=O T3O2749
Cc1ncc(COP(O)(O)=O)c(C)c1O T3O2784
CC1(C)CCCC(=C)C11CCC(C=O)=CC1 T3P2855
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O T3P2904
COc1cc(C=CCOC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O T3S0012
CCOC(=O)\C=C\c1ccc(O)c(O)c1 T3S0013
COc1cc(cc(OC)c1OC)[C@H]1[C@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 T3S0027
COc1ccc-2c(CN(C)c3c-2ccc2cc4OCOc4cc32)c1OC T3S0057
CC1(C)OC1COc1c2ccoc2cc2oc(=O)ccc12 T3S0081
C[N+]12CCc3cc4OCOc4cc3C1(O)Cc1ccc3OCOc3c1C2 T3S0128
COc1cc(O)c(cc1CC=C(C)C)C(=O)\C=C\c1ccc(O)cc1 T3S0136
CC(C)=CCc1cc(C(=O)\C=C\c2ccc(O)cc2)c(O)cc1O T3S0137
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O T3S0153
Cc1coc2C[C@@]3(C)CCCC(=C)[C@@H]3Cc12 T3S0165
C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O T3S0175
C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C T3S0195
N[C@@H](CCCNC(N)=N)C(O)=O T3S0364
Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3C(=O)c2c1 T3S0381
OC[C@H]1O[C@@H](Oc2cc(\C=C\c3cc(O)cc(O)c3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O T3S0401
CC1=C(C(O)=O)C(C)(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T3S0462
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 T3S0478
COc1cc(CC(O)=O)ccc1O T3S0507
COC(C1=C(C=CC=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)=O T3S0509
CC(=C)[C@H]1Cc2c(C)coc2C[C@]1(C)C=C T3S0541
CCN1C[C@]2(C)CCC[C@]34C1[C@H](C[C@H]23)[C@@]12CC[C@@H]([C@H](O)[C@@H]41)C(=C)[C@H]2O T3S0626
CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14 T3S0629
[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@@](O)(C1[C@H](OC)[C@@]4([H])[C@]33[C@@H]1N(CC)C[C@]4(COC)CC[C@@H]3O)[C@@H](O)[C@@H]2OC T3S0631
COc1cc(\C=C\C(=O)NCCc2ccc(O)cc2)ccc1O T3S0645
C[C@@H]1CC[C@]2(COC(C)=O)[C@H](C[C@H](O)C=C2CO)[C@@]1(C)CCC1=CC(=O)OC1 T3S0693
CC(C)c1ccc(C)cc1O T3S0717
COc1ccc(C=CC(c2c(OC)cc(OC)cc2O)=O)cc1 T3S0737
COc1ccc(\C=C\c2cc(OC)cc(=O)o2)cc1 T3S0738
Cc1c2-c3cc4OCOc4cc3CC[n+]2cc2cc3OCOc3cc12 T3S0804
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1 T3S0860
[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@]1([H])[C@@H](O)C=C2COC(=O)SC T3S0870
CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 T3S0872
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CCC5CC(O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CCC(C)CO1 T3S0895
COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 T3S0964
O=c1cccc2[C@H]3C[C@@H](Cn12)[C@@H]1CCCCN1C3 T3S0970
Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1 T3S1068
COc1ccc(cc1OC)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(O)c(OC)c1 T3S1089
CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c(O)c(C)c1OC T3S1117
COc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13 T3S1227
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CCC(=C)CO1 T3S1251
[H][C@@]12Cc3ccc(OC)c(O)c3-c3c(O)c(OC)cc(CC[N+]1(C)C)c23 T3S1319
[I-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O T3S1320
CC(C)=CC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C T3S1416
C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12 T3S1447
COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1O T3S1457
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C T3S1513
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC(O)=O T3S1534
C[C@@H]1[C@@H](C)[C@@H](O[C@@H]1c1ccc2OCOc2c1)c1ccc2OCOc2c1 T3S1541
O=C\C=C\c1ccccc1 T3S1553
COc(cc(CCC(CC(CCc(cc1)cc(OC)c1O)O)O)cc1)c1O T3S1692
COc1cc(CCC(=O)\C=C(/O)\C=C\c2ccc(O)c(OC)c2)ccc1O T3S1701
COc1cc(CCc2cc(OC)c(O)c(OC)c2)ccc1O T3S1707
O[C@H]1C[C@H]2CCN3Cc4cc5OCOc5cc4[C@@H]([C@@H]23)[C@@H]1O T3S1729
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 T3S1775
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O T3S1850
CCCOC(=O)c1cc(O)c(O)c(O)c1 T3S1866
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)C14 T3S1873
Cc1coc2C[C@@]3(C)[C@@H]4C[C@@H]4C(=C)[C@@H]3[C@@H](O)c12 T3S1896
COC1=C(OC)C(=O)[C@@]23COc4c5OCOc5cc([C@H](OC(=O)C(\C)=C/C)[C@H](C)[C@H](C)CC2=C1)c34 T3S1916
CC1(C)[C@@H](CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T3S1944
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccccc12 T3S1955
CC[C@](C(C=C(c1nc2ccc3)N4Cc1cc2c3N)=C(CO1)C4=O)(C1=O)O T3S1957
CCC(=O)c1cc2OCOc2cc1O T3S1960
Cn1cc(C[C@H](N)C(O)=O)c2ccccc12 T3S1967
CC(C)N(CCCCOCC(O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1 T3S2007
C[C@H]1C[C@@]2(O)C([C@H]1O)[C@H](O)[C@]1(CO1)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C T3S2016
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C T3S2019
CCCC=C1OC(=O)c2ccccc12 T3S2072
O=C1O[C@](C2)([C@@H](CCCC3)N3[C@@H]2C=C2)C2=C1 T3S2100
CCCCCCCCCCCCCCCC(=O)NCc1ccccc1 T3S2105
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O T3S2152
CC1(C)CC[C@@]2(CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O T3S2197
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc1ccc(O)cc1c2=O T3S2210
COc1ccc(CC=C)cc1OC T3S2259
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]2(O)CO T3S2296
C\C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 T3S2340
CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O T3S2344
CC(C)=CCCc1ccoc1 T3S2381
O[C@H]([C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O T3S2390
C1C(COc2c1ccc(c2)O)c1ccc(cc1)O T4000
ICCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40000
OC(=O)CCCCCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40001
Cl.NCCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40002
Cl.NCCCCCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40003
Cl.NCCCCCCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40004
OC(=O)CCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40005
OC(=O)CCNC(=O)CNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40006
OC(=O)CCCCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40007
OC(=O)CCCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40009
OC(=O)CCCCCCCCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40010
OC(=O)CCCNC(=O)CNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 T40011
OC(=O)CCNC(=O)CNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 T40012
OC(=O)CNC(=O)COC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 T40013
OCCCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40014
Cl.NCCOCCOCC(=O)NC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1 T40015
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O.Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O T4004
O=C1NN=CC(N2Cc3ncnc(Oc(cc4)c(C(F)(F)F)cc4F)c3CC2)=C1Cl T40042
Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)Nc1ccc(F)cc1 T4005
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 T4006
Cl.CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC T4007
CN1C[C@@H](C[C@H]2[C@H]1Cc1cn(c3cccc2c13)C)CNC(=O)OCc1ccccc1 T4008
Oc1cccc2C(=O)C=CC(=O)c12 T4010
C1C[C@H](CC[C@H]1O)Oc1cccc2cnc(nc12)Nc1cc2c(cc1)nc[nH]2 T4011
Brc1cccc(c1)C(=O)N1CCC(CC1)N1CCCC1 T4012
Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 T4013
COC1=CC=CC2=C1N=C(C)C=C2NC3=CC=C(NC(C(N/N=C/C4=CC=C(SC)C=C4)=O)=C5)C5=C3 T40130
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 T4014
C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 T4016
CCN(C(CO)=NN1c(cc(C(C(C)C)=CN(c2c(C)cccc2)C2=O)c2c2)c2F)C1=O T40168
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O T4017
[Na+].CCC(O)(C([O-])=O)c1cc2-c3nc4ccccc4cc3Cn2c(=O)c1CO T40179
O=C(NC1=NC=CC(=C1)C2=CN(C=3C=NC=CC23)C4CCOCC4)N5CCN(CC)CC5 T40187
O=c1c(Cc2c3ccccc3ccc2O)c(c2ccccc2)[nH]c(=S)[nH]1 T4019
COc(nc1)ncc1-c(cc1)cc2c1nc(N)s2 T40222
Cl.Cl.N[C@@H](CCCNC(N)=N)C(N)=O T4023
c1ccc2c(c1)[nH]c1cnccc21 T4024
O=C1C(O)=C(C2=CC=C(Cl)C(Cl)=C2)OC3=C4CN(CC5=CC=CC(F)=C5)COC4=CC=C13 T40242
CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C T40247
COc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=C\c1ccncc1 T4025
S=C=NCCCC1=CC=CC=C1 T40253
N#CC1=C(OC2CC2)C=C(Cl)C(F)=C1C3=C(C4=CC5=C(C(NN=C5CN)=O)C=C4)C=NN3C T40254
CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C T4026
O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2ccccc2c1 T4027
NS(=O)(=O)c1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1 T4028
[O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccc1 T4029
Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1 T4030
CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)c(F)c1 T4031
Oc1cc(CN2CCOCC2)c(O)cc1CN1CCOCC1 T4032
Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 T40351
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CN1 T4036
Fc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc12 T40366
C[C@@H]1[C@@H](O)[C@]2(O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C T4037
[Na+].[Na+].Nc1ncnc2n(cnc12)C1CC(O)C(COP([O-])([O-])=O)O1 T40370
[15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376
O=C(NCCc1c[nH]c2ccccc12)c1cccnc1 T40377
CC1=N[C@@H](CCN1)C(O)=O T4038
CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O T40380
COC(=O)c1ccc(O)cn1 T40388
Clc1ccc(cc1)C(=O)N1CCC(CC1)=Cc1ccc(cc1)C1=NCCO1 T4039
OB1OCc2cc(Cl)ccc12 T4040
CC[C@@H](C[N@@]1CC2)[C@@H]2C[C@H]1[C@H](O)C3=CC=NC4=CC=C(OCC)C=C34.[H]Cl T40417
CS(O)(=O)=O.CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O T4042
Oc1cc(Cl)c(Cl)cc1O T40421
CCN1CC(=CC2=CC(OC)=C(OC)C(OC)=C2)C(=O)C(C1)=CC1=CC(OC)=C(OC)C(OC)=C1 T40423
[Na+].[Na+].[Na+].Nc1ccn(C2OC(COP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c(=O)n1 T40426
Cn1c2ncn(CC(=O)Nc3ccc(nn3)-c3ccccc3)c2c(=O)n(C)c1=O T4043
CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C T4044
Cl.NC[C@H]1OB(O)c2c1cccc2OCCCO T4045
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1 T4046
C1CN=C(N\N=C\c2c3ccccc3c(\C=N\NC3=NCCN3)c3ccccc23)N1 T4047
ClC(Cl)C(=O)N(CC=C)CC=C T40477
Cl.Cl.C1CN=C(N\N=C/c2c3ccccc3c(\C=N/NC3=NCCN3)c3ccccc23)N1 T4047L
CCOC(=O)C1=C(C)N=C(S)NC1c1cccc(O)c1 T4048
O=C(C=1C=C(OC)C=C(OC)C1)C T40489
CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 T4049
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O T40490
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1 T4050
OCc(cc1)ncc1O T40502
Cc(cc1)cc(C(N2C(CCC(N3)=O)C3=O)=O)c1C2=O T40503
O=N(=O)C=1C=C(C(=C(C1NC(CC)CC)N(=O)=O)C)C T40505
CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12 T4051
CC(C)(CCCCCC(CCCCCC(C)(C)C(O)=O)=O)C(O)=O T40514
CC(C)C1=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=CC(C#CC2=CC=C(C=C2)[N+]([O-])=O)=C1O T40548
CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C T4055
Cl.CN1CCN(CC1)C(c1ccccc1)c1ccccc1 T4056
CN1CCC[C@H]1C(O)=O T40569
COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1 T4058
OCCCO T40585
OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O T40588
CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 T4061
[Cl-].[Mn+5].[O-]c1ccccc1\C=[N-]\CC\[N-]=C/c1ccccc1[O-] T40612
CNC(=S)NC T40615
Nc1c(c2nc3ccccc3nc2n1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1 T4062
Cl.CCC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(=C1)C(F)(F)F T40622
Nc1nc(c(F)cc1F)-n1cc(C(O)=O)c(=O)c2cc(F)c(N3CC(O)C3)c(Cl)c12 T4063
CCCCCCCC\C=C/CCCCCCCCCC(O)=O T40637
O.COc1c(O)cc2oc3cc(O)c4CCC(C)(C)Oc4c3c(=O)c2c1CCC(C)(C)O T4064
[Na+].[Na+].[O-]c1ccc2c(Oc3cc([O-])ccc3C22OC(=O)c3ccccc23)c1 T4065
Clc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1 T40656
Cc1c(sc2ccc(Cl)cc12)-c1cc(NS(=O)(=O)c2ccccc2Cl)n(C)n1 T40661
[O-][N+](=O)c1cc(\C=C2/CCN(C\C(=C/c3ccc(F)c(c3)[N+]([O-])=O)C2=O)C(=O)C=C)ccc1F T4067
O=NN1CCOCC1 T40684
NC(=O)c1csc(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T40686
[Na+].C[C@H](CCC(=O)NCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C T4070
CCN(CC)CCCO T40709
C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 T4071
CCOC(=O)\C=C\C(=O)OCC T40712
C[C@@H]([C@H](C(O)=O)N)O T40729
CCCCCCCCCCCCCCOC(C)=O T40735
CC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1 T4074
CC(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1)NC3=CC4=C(C=C3)SC=N4.Cl T4074L
Cc1cc2c([nH]1)ccc(Oc1nc(Nc3cc(CS(=O)(=O)NCCN(C)C)ccc3)ncc1)c2 T4075
COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2ccc3cc[nH]c3c2)[nH]n1 T4077
COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 T4078
Cl.O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 T4079
Cl.COc1cc(cc(OC)c1O)C(=O)OCCCCNC(N)=N T4080
Cl.CN1CCC(=CC1)c1ccccc1 T4081
CCCCCC1CCCC(=O)O1 T40815
CC[C@@H]1[C@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCO)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 T4083
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O T40840
CC(C)C[C@H](NC(=O)CN)C(O)=O T4086
Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 T40863
Cl.NC(=O)c1ccc(OCCCN2CC3CCCC3C2)cc1 T4087
CC(C)C1=CC(=O)C(C)=CC1=O T4088
OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Cl)cc12 T4089
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O T4090
Cn1nccc1Nc1nccc(n1)-c1cc2C(=O)N(CCN3CCOCC3)C(C)(C)c2s1 T4091
Oc1cc(C=C(C#N)C#N)ccc1[N+]([O-])=O T4092
O=C(OC(C)CCCCCC)COC1=NC(F)=C(Cl)C(N)=C1Cl T40922
Cl.CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1 T4093
COc1ccc(CC(=O)Nc2nc-3c(CCc4ccccc-34)s2)cc1OC T4095
OC(=O)c1cccnc1C(O)=O T4096
NC(=O)c1ccc(OCCCN2CC3CCCC3C2)cc1 T4099
O=C(c1ccncc1)N/N=C/c1c2ccccc2ccc1O T4100
FC(F)(F)C=1C=CC=C(C1)NC2=NN=C(N2)C=3C=CC(OC4=NC(=NC(N)=C4)SC)=CC3 T41003
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F T4101
[Na+].C[C@H](O)C([O-])=O T4103
CN(Cc1oc2ccccc2c1C)C(=O)\C=C\C1=CNC2=NC(=O)CCC2=C1 T4105
COc1ccc(cc1)C(NC(=O)c1cnc([nH]c1=O)-c1cccnn1)c1ccc(OC)cc1 T4106
Cc1ncc(CO)c(C(O)=O)c1O T4107
c1[nH]nnc1-c1cccnc1 T4108
COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T4109
COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1\C(CN2)=C/C T4110
Cl.CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 T4111
NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O T4113
COc1cc(C)c(C(=O)Oc2cc(C)c(C(O)=O)c(O)c2C)c(OC)c1C T4114
Cl.COC(=O)[C@@H](N)Cc1ccc(Cl)cc1 T41143
CC(C)=CCC\C(C)=C\COc1ccc2ccc(=O)oc2c1 T4115
C[S+](CCC(N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T4116
O=C(Oc1nsnc1N1CCCCC1)N1CCCCC1 T41160
BrC1=C(C=CC(C)=C1)OCCSC2=NC=CC=N2.Cl T41162
OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1 T4117
Cl.Cl.OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1 T4117L2
CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4.Cl T4118
CN(C)CC(O)=O T4120
COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1CO T4121
CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1 T41244
OC(=O)\C=C/C(O)=O.S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 T41247
COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC T41248
CCc1ccc(cc1)S(=O)(=O)Nc1cc(nn1-c1ccccc1)-c1cccs1 T4125
COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C T41255
Cn1ncc(-c2ccc3c(Nc4cccc(NC(Nc5cccc(F)c5)=O)c4)ncnc3c2)c1 T41256
CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O T4126
N[C@@H](Cc1ccc(F)cc1)C(O)=O T41274
O=C(C#C)N(C1=CC=C(OC)C=C1OC)C(C(=O)NCC(=O)OCC)C=2SC=CC2 T41277
CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 T41284
CC(C)=CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T41286
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O T4129
Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O T41290
CS(=N)(=O)CC[C@H](N)C(O)=O T41299
O.N[C@@H](CS(O)=O)C(O)=O T41301
[H][C@@]12[C@H](O)C(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O T4131
Cl.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O T41312
O.O[C@@H]([C@H]1OC(=O)[C@H](O)[C@H]1O)C(O)=O T41319
CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 T4132
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC T41323
Cl.C[C@@H](CN)c1ccc(cc1)-c1c(O)cc(C)c2[nH]c(=O)c3sccc3c12 T4134
Cl.C[C@@H](CN)c1ccc(cc1)-c1c(O)cc(C)c2[nH]c(=O)c3sccc3c12 T4134L
Cl.C[C@@H](CN(C)C)c1ccc(cc1)-c1c(O)cc(C)c2[nH]c(=O)c3sccc3c12 T4135
NCc1ccccc1O T41358
CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O T4136
Oc1ccc2c(O)cc(=O)oc2c1 T4137
CC[C@@H](C(C)C)[C@@H]([C@H]([C@@H](C)[C@@H](CC1)[C@@](C)(CC2)[C@@H]1[C@H](CO1)[C@H]2[C@@](C)(C[C@H]([C@H](C2)O)O)[C@H]2C1=O)O)O T41372
COc1ccc(cc1)C1C(C#N)=C(N)OC2=C1C(=O)CC(C2)c1cccc2ccccc12 T4138
[K+].Oc1ccc2nc(sc2c1)C1=NC(CS1)C([O-])=O T4139
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 T4140
CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 T4141
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1 T4142
CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O T4163
OC(=O)c1ccc(\C=C2/SC(=S)N(Cc3cccc(c3)C(F)(F)F)C2=O)cc1 T4164
CN1CCN(C=N1)c1ccc(cc1F)N1C[C@H](CO)OC1=O T4165
CN(N=O)C(N)=O T4169
CC1=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc2C1=O T4170
C[C@H](NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O)c1ccc(Br)cc1 T4171
COS([O-])(=O)=O.COc1cccc2[n+](C)c3ccccc3nc12 T4172
Oc1c(CC=C)ccc2C(=O)c3ccccc3C(=O)c12 T4173
c1ccc(cc1)NC(=S)Nc1ccc(cc1)F T4174
Fc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 T4175
CC(C)(C)c1cc2c(OC(=O)C2(O)C(F)(F)F)c(c1)C(C)(C)C T4176
Fc1ccc(NC(=S)Nc2ccc(F)cc2)cc1 T4177
Fc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 T4178
NC(CCCCC(N)=NO)=NO T4180
Cc1cc(Br)ccc1NC(=O)CCl T4181
OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1ccccc1O T4182
OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1cc(O)ccc1O T4183
c1cc(ccc1/C=C\1/C(=O)NC(=S)S1)I T4184
OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O T4185
CC(=NNC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 T4186
O.[Na+].[Na+].Nc1ccn(C2OC(COP([O-])([O-])=O)C(O)C2(F)F)c(=O)n1 T4187
Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCC(c1ccccc1)n1ccnc1 T4188
C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 T4189
Clc1ccccc1CN1CCc2sccc2C1 T4190
OCCNC(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 T4191
CCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1 T4192
Cn1ncc2CCc3c(sc(Oc4ccc(OCc5ccc6ccccc6n5)cc4)c3-c12)C(N)=O T4193
Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1Br T4194
CNCCc1ccccn1 T4195
CN(CCc1ccccn1)CCc1ccccn1 T4196
CC(C)(C)Oc1cccc2nc(N)nc(N)c12 T4197
CN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccc(cc2)C(F)(F)F)C1 T4198
CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1 T4199
[Na+].NC(=O)C1CCC2CN1C(=O)N2OS([O-])(=O)=O T4201
CCc1cc2c(C)cc(=O)oc2cc1O T4204
Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O T4205
C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)CN1CCCC1 T4206
Cl.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)cc1 T4207
CCN(CC)c1nc2c(nnn2c2cc(OC)c(OC)cc12)S(=O)(=O)c1ccc(Cl)cc1 T4208
Cl.Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 T4209
NC(=O)c1nc(oc1Nc1ccc(cc1)C(=O)N1CCOCC1)-c1c(F)cccc1Cl T4210
CN1c2ccsc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 T4212
Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)c1 T4213
Cc1nn2c(nc(O)c3cccnc23)c1C#N T4214
FC(F)(F)c1cccc(C=C2SC(=O)NC2=O)c1 T4215
O=C(N\N=C\c1coc2ccccc2c1=O)c1cccnc1 T4216
CCOC(=O)C(=C)Cc1ccccc1Cl T4217
Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1 T4218
Cc1cc(Nc2cc(Cl)nc(Oc3ccc(cc3)[N+]([O-])=O)n2)n[nH]1 T4219
CNC(=O)CNc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 T4220
Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 T4221
Cc1ccc(cc1)-c1nnc(NC(=O)c2ccc(Br)s2)o1 T4222
O=C(N1CCN(CC2CC2)CC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 T4223
CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1Cl T4224
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc31 T4225
Cc1cccc(C)c1N(CC(=O)Nc1ccc(cc1)-c1ncon1)C(=O)C1CCS(=O)(=O)CC1 T4226
Cl.CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 T4227
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1 T4228
Cl.Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 T4229
COc1ccc(cc1OC)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 T4231
NC(CS)C(=O)NCC(O)=O T4233
Cl.NCCOc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O T4234
Cl.CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1 T4236
O=C1C2=C(C=CC=C2)C(C3=CC(O)=C(C)C(OC)=C13)=O T4237
NC(=N)NCC(O)=O T4238
Cn1c2ccc(C=O)cc2n(C)c1=O T4239
COc1ccc2CC[C@H](Oc2c1)c1ccc(OC)c(OC)c1 T4240
Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O T4241
C[C@@H]1O[C@@H](O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O T4242
COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O T4243
Cc1c(O)c(C)c2occ(Cc3ccc4OCOc4c3)c(=O)c2c1O T4244
COc1ccccc1-n1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2CCSc2c1=O T4245
Cl.Cl.C1C2CNCC1c1cc3nccnc3cc21 T4246
Cl.CN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccc(cc2)C(F)(F)F)C1 T4248
Cl.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C T4249
CCOCCn1c(nc2ccccc12)C1CCN(CCc2ccc(cc2)C(C)(C)C(O)=O)CC1 T4250
[Na+].COc1cccc(c1)-n1c(SCC([O-])=O)nnc1-c1ccccn1 T4251
O=C(NCCCNC(=O)c1ccc[nH]c1=O)c1cc(on1)-c1ccccc1 T4252
OC(=O)COc1ccc(Br)cc1\C=C1/SC(=S)N(Cc2cccnc2)C1=O T4253
OC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1cccc(c1)-c1ccco1 T4254
Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1 T4258
Cl.Cl.CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 T4260
NC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1 T4262
COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1 T4263
CCCn1c(NC(=O)c2cccc(c2)C(N)=O)nc2ccccc12 T4264
Cc1cc(cc(Cl)n1)-c1nnc(N)nc1-c1ccc(F)cc1 T4265
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 T4266
CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1 T4269
COC(=O)\C=C\C(=O)OCCN1C(=O)CCC1=O T4271
Oc1ccnc2ccccc12 T4272
[O-][N+](=O)c1ccc(\C=C\C=N\N2CC(=O)NC2=O)o1 T4273
Cl.CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc12 T4274
COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 T4275
Cl.O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1 T4276
O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1 T4276L
Fc1cc(ccc1[C@H]1CCc2cncn12)C#N T4277
C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1Cl T4278
CC(=O)SCC(CC(=O)c1ccc(C)cc1)C(O)=O T4279
CCCCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2c(C)cc(C)nc12 T4280
CCC(=C(c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 T4281
CSCC(CC(=O)c1ccc(C)cc1)C(O)=O T4282
O=C(NC1CCCCC1)N(CC1CCNCC1)Cc1ccccc1 T4283
OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12 T4285
CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1 T4289
Cl.COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O T4291
OC(=O)[C@@H]1CSCN1 T4292
OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1cccs1)c1ccc(cc1)N1CCOCC1 T4295
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 T4296
FC(F)(F)c1cccc(c1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1 T4297
O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1 T4298
O=C(C1=COC(C2=CC(C)=NC=C2)=N1)NC3=CN(C4CCOCC4)N=C3C(N)=O.[H]Cl T4299
COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl T4300
CC(C)n1nc(-c2ccc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)cc2)c2c(N)ncnc12 T4301
CCc1ccc(cc1)-c1nc(CSCC(=O)NCCc2ccccc2)c(C)o1 T4302
Cc1nc(sc1C(O)=O)-c1ccc(cc1)C(F)(F)F T4303
CCCC(=O)NCCc1csc(n1)-c1ccc(Cl)cc1 T4304
CCCN(CCC)C1CCc2cccc(O)c2C1 T4305
Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)cc1 T4306
Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1 T4307
Cc1ccc(\C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1 T4308
ON=C1c2cc(ccc2-c2ccc(cc12)S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1 T4309
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 T4310
O.CC(O)C(O)=O.COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 T4310L
CS(O)(=O)=O.COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 T4310L2
Oc1ccccc1N\C=C1/C(=O)C=Cc2ccccc12 T4311
Cc1c(C)c(OCc2cc(Cl)cc3CC(C)(C)Oc23)ccc1CCC(O)=O T4312
Cl.CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12 T4313
CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 T4314
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 T4315
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 T4316
Cl.Cl.CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)[C@@H]1CCNC1 T4317
Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1 T4319
NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 T4321
FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnn3)c2)nc1 T4323
Cl.COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12 T4324
S=C(NN=C1CCCc2cccnc12)N1CCN(CC1)c1ccccn1 T4325
Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O T4326
Cl.Cl.COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 T4327
OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O T4328
CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C T4329
CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccco1)c2C(O)=O T4330
Cn1cc(cn1)-c1cc(Oc2cc(F)c(NC(=O)C3(CC3)C(=O)Nc3ccccc3)cc2F)ccn1 T4332
Cl.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 T4333
Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1 T4335
CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O T4336
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1 T4337
CS(=O)(=O)c1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1 T4338
COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCc1ccc(Cl)cn1 T4339
OC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1 T4340
COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 T4341
Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl T4343
Cn1cc(C(=O)Nc2ccc3OCCOc3c2)c2ccccc2c1=O T4345
O=C(CCCSSc1ccccn1)ON1C(=O)CCC1=O T4346
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O T4347
NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 T4348
OP(=O)(NCCCl)NCCCl T4350
Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 T4353
CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 T4355
C[C@H]1CN(C[C@@H](C)N1)c1ccc2cc(C#N)c3nc4ccccc4n3c2n1 T4356
C(c1ccccc1)n1nnc2c(Sc3nc4ccccc4o3)ncnc12 T4359
Cl.CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O T4361
Cc1cc(cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F)-c1ccccc1 T4362
CCOC(OCC)P(O)(=O)CCCNCc1ccc(Cl)c(Cl)c1 T4363
CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 T4364
CN1CCc2c(C1)sc1[nH]c(nc(=O)c21)-c1cc(C)c(O)c(C)c1 T4365
C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O T4366
OC1=C(Cl)C=C2CCN(C)C[C@H](C3=CC=CC=C3)C2=C1.[H]Cl T4369
Cl.CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 T4370
OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 T4371
CSC(=S)NCc1c[nH]c2ccccc12 T4373
CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O T4374
OC(=O)\C=C/C(O)=O.CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 T4375
CC(C)(O)CS(=O)(=O)Nc1ccc2CN(CCc2c1)C(=O)COc1cccnc1 T4376
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 T4377
CNCCN1CCC(CC1)OCc1ccccc1 T4378
COCCNC(=O)Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1 T4380
OCc1ccc(o1)-c1nn(Cc2ccccc2)c2ccccc12 T4381
Cl.CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 T4382
Cl.CCOC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 T4383
CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 T4384
CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1 T4385
C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C T4386
Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccccc1 T4388
CCCCNNC(=O)c1ccc(cc1)-c1cccc(F)c1F T4389
[O-][N+](=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O T4390
Cl.Cl.NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 T4391
Cl.Cl.CNCCN1CCC(CC1)OCc2ccccc2 T4393
COC(=O)C=Cc1ccc(OC)c(O)c1 T4394
[H][C@]12[C@@H](O)C=C(COC(C)=O)[C@@]1([H])[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC T4395
COc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 T4397
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)c1ccccc1 T4398
Clc1cc(Cl)c(OCC(=O)N\N=C\c2ccc[nH]2)c(Cl)c1 T4399
Oc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 T4400
OC(=O)Cc1nc(Cl)cs1 T4402
Cl.COc1ccc2OCC(CN3CCCC3)=C(c3ccc(F)cc3)c2c1 T4403
COC(=O)C(NC(=O)OC(C)(C)C)C1COC1 T4404
O.O.Nc1nc(cs1)C(=CCC(O)=O)C(=O)NC1C2SCC=C(N2C1=O)C(O)=O T4405
CC1=CC(=O)C=C(C)C1=O T4406
Clc1ccc(CN2CCC(CC2)n2c3cc(Cl)c(Cl)cc3[nH]c2=O)cc1 T4407
CSc1ccc(cc1)C(=O)\C=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1 T4408
Fc1ccc2c(\C=C\c3nnn[nH]3)c[nH]c2c1 T4410
CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1 T4412
COCC1(CO)N2CCC(CC2)C1=O T4414
Cl.CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12 T4417
Cl.Cl.OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 T4418
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 T4420
OC(=O)\C=C/C(O)=O.OC1CN(CCCOCCc2ccc3sccc3c2)C1 T4422
Cl.O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCNCC1 T4423
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1 T4424
COc1ccc(cc1OC)C(=O)Nc1cc(n[nH]1)-c1ccccc1 T4425
OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 T4427
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1 T4428
Cl.COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 T4429
OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)[C@H](O)[C@@H](O)[C@@H]1O T4430
Nc1n[n+]([O-])c2ccccc2[n+]1[O-] T4434
Cc1ccc(NS(=O)(=O)c2cccc(c2)C#N)c2[nH]cc(C#N)c12 T4435
CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 T4436
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1F T4438
C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO T4439
NCC(CS(O)(=O)=O)c1ccc(Cl)cc1 T4440
OC(=O)C(=C\c1cn(-c2ccccc2)c2ccccc12)\C#N T4441
CNC(=O)c1ccc(cc1)c2cnc3cnc(cn23)c4ccccc4 T4443
CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Cl T4445
CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl T4446
CN1CCN(CC1)C(=O)C1[C@@H]2CC[C@@H](O2)C1C(O)=O T4449
Cc1cc(nnc1C(=O)N1CCN(CC1)c1ncccn1)-c1ccccc1 T4450
OC(=O)CCCCCCCC\C=C\C(O)=O T4454
OC(Cc1ccccc1)C(O)=O T4455
CC(=O)NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O T4456
CS(=O)(=O)c1ncc(Cl)c(n1)C(O)=O T4459
[O-][n+]1cc(Cl)c(NC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 T4462
CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 T4463
NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 T4464
Cl.COC(=O)c1ccccc1C(=O)c1ccc(OCCN2CCCCC2)cc1 T4466
Cl.Cl.N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 T4467
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCNCC1)S(=O)(=O)c1ccccc1 T4468
O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c23 T4471
O=C(C1=CC(F)=CC(CN2C3CCN(C4CCC(F)(F)CC4)CC3)=C1C2=O)N T4472
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 T4473
Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N[C@H]2CCOC2)ccc1F T4475
NC(=O)c1cnc(NCCc2ccc(O)c(Cl)c2)nc1NCc1ccccc1 T4476
Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1cccc(O)c1)c1ccc(cc1)C(O)=O T4478
COc1cc(OC)c2n(C)c3occc3c(=O)c2c1 T4479
Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1 T4481
Oc1ccc2oc3cc4OCOc4c(O)c3c(=O)c2c1 T4484
Cc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2)c(C)n1-c1cccnc1 T4486
NC(=O)c1cnc(-c2ccc(cc2)C2(N)CCC2)c(c1)-c1ccccc1 T4489
CNC(=O)c1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl T4490
COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1 T4492
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O T4493
C[N+]1([O-])CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 T4494
OCCN(CCO)c1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc(cc1)N(CCO)CCO T4496
Nc1ccncc1N T4497
OP(O)(O)=O.Nc1ccncc1N T4497L
CC(C)(C)C(O)\C=C\c1ccc2OCOc2c1 T4498
C(C1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12 T4499
Cc1sc(Nc2nccc(C)n2)nc1-c1cn[nH]c1 T4500
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)c1csc(N)n1 T4501
FC(F)(F)c1cccc(Nc2ncccc2C(=O)OC2OC(=O)c3ccccc23)c1 T4503
Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 T4504
[Fe++].NCC([O-])=O.NCC([O-])=O T4505
OCC(O)COc1ccc(Cl)cc1 T4507
NCCCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)CN)C(O)=O T4508
NCCC(=O)N1[Zn]OC(=O)[C@@H]1Cc1cnc[nH]1 T4510
CC(C)c1cc(\C=C(/C#N)C(N)=O)cc(C(C)C)c1O T4511
[Mg++].NCC([O-])=O.NCC([O-])=O T4512
CCCCOCc1ccc(O)c(OC)c1 T4513
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O T4514
CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 T4515
COC(=O)[C@@H](CO)[C@H]1C[C@@H]2N(CCc3c2[nH]c2ccccc32)C[C@@H]1C=C T4516
Nc1nc(S)nc(O)c1\N=C\c1ccccc1 T4517
COc1c(O)c(O)ccc1\C=C\C(=O)c1ccc(O)c(CC=C(C)C)c1 T4518
[H][C@@]12[C@@H](O)CC3=C(CC[C@]3(C)[C@@]1(C)CCC1C(C)(C)C(=O)CC[C@]21C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O T4519
Cl.COc1cc(nc(NC2CCCCC2)n1)-c1ccc(cc1)C(F)(F)F T4522
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 T4523
CC(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1c1ccccc1)c1ccc(C)cc1 T4524
C\C(=C\C(O)=O)C(O)=O T4525
Cl.C(C1COc2ccccc2O1)N1CCCCC1 T4526
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(\C)c1cc(Cl)ccc1O T4527
Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O T4528
COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 T4529
COc1ccc(cc1)S(=O)(=O)Nc1ccccc1CN(C)C\C=C\c1ccc(Cl)cc1 T4530L
C(N1CCC2(CC1)OCCc1sccc21)c1ccc2OCCOc2c1 T4531
C[C@H]([C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1 T4532
CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 T4534
[Na+].[O-]C(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1 T4535
Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1 T4536
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+] T4537
CC1(C)CCC(C)(C)c2cc(\C=C\c3ccc(cc3)C(O)=O)c(Cn3cccn3)cc12 T4538
CC(C)NCC(O)COc1cccc2CCCN(C(=O)c3cccnc3)c12 T4539
Cc1c(Cl)cccc1Nc1ncccc1C(O)=O T4542
Cl.CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1 T4545
NC(CO)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O T4546
CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O T4550
Cl.[H][C@@]12N(C)c3ccccc3[C@]11C[C@H]3[C@@H]([C@H]1O)[C@H]1C[C@]2([H])N3[C@@H](O)[C@H]1CC T4550L
Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1 T4551
CC(N(Cc1cnc(C)nc1N)C=O)=C(CCO)SSCC1CCCO1 T4552
CC(C)c1cc(C=C(C#N)C#N)cc(C(C)C)c1O T4554
CCCCCc1ccc(C)cc1O T4557
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 T4558
Cc1cc(no1)C(=O)NNCc1ccccc1 T4559
OC(CNC(C)C)COC1=CC=CC=C1CC=C.[H]Cl T4560L1
OC([C@@H](O)C(O)=O)C(O)=O.CC(C)NC[C@H](O)COc1ccccc1CC=C T4560L2
CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1 T4561
Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 T4562
O=C(C1=CN(C)C2=C1C=CC=C2)[C@@H](C3)CCC4=C3NC=N4.Cl T4562L
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1 T4563
CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl T4564
OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 T4565
OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N T4566
Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 T4567
O=C(O[C@H]1C[C@H]2C[C@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12 T4568
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 T4569
Cl.CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 T4569L
BrCCC(=O)N1CCN(CC1)C(=O)CCBr T4570
OC(=O)CCNC(=O)c1ccc(cc1)\N=N\c1ccc(O)c(c1)C(O)=O T4571
[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T4572
NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C2CC3CC2C=C3)cc1Cl T4573
CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O T4574
[Na+].CCOC(=O)C(C)CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC([O-])=O T4574L
[Cr+3].[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1 T4575
[H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C2=O T4576
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 T4577
CCCCCCCCOC(=O)CC(=C)C(O)=O T4580
OC1c2ccccc2Oc2ccccc12 T4582
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C T4584
OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O T4585
CC(C)=CCC(OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O T4586
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T4588
COC1=CC(=O)O[C@H](C1)\C=C\c1ccccc1 T4590
COC1=CC(=O)O[C@@H](CCc2ccccc2)C1 T4591
Cl.C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CC[C@H](C)CN1 T4592
COc1c2ccoc2c(OC)c2oc(=O)ccc12 T4593
OC(c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F T4594
COc1ccc(cc1OC)C(=C\c1ccc(s1)N1CCC(O)CC1)\C#N T4595
Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 T4596
CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F T4598
FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl T4600
COc1ccc2c3ccnc4ccc(=O)n(c2c1)c34 T4601
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O T4602
OC(=O)C(CC(=O)c1ccccc1)c1c[nH]c2ccccc12 T4603
[O-][n+]1onc(C(=O)c2cccs2)c1C(=O)c1cccs1 T4604
Oc1cc(CNC(=S)\C=C\c2cc(O)c(O)c(Br)c2)cc(O)c1O T4605
FC(F)(F)c1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1 T4607
Clc1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1 T4608
COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 T4609
CCOC(=O)C(Cc1c[nH]c2ccc(Br)cc12)(NC(C)=O)C(=O)OCC T4611
O\N=C1\C(=O)Nc2c1ccc(Cl)c2Cl T4612
OC(=O)C(F)(F)F.NC(CCCNC(N)=N)C(=O)NCC(=O)NC(CC(O)=O)C(O)=O T4613
Cl.Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12 T4614
O.O.[Na+].[Na+].Oc1ccc(cc1C([O-])=O)\N=N\c1ccc(cc1)C(=O)NCCC([O-])=O T4615
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC T4616
COc1cc(O)c2c(c1)oc1c(OC)c(O)c(OC)cc1c2=O T4617
Cc1ccc(C)c(OCCn2cc(C(O)=O)c3ccccc23)c1 T4619
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 T4620
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(C)(C)C(O)=O T4624
COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1cccc2ccccc12 T4626
COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1cccc2ccccc12 T4626L
COC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1 T4627
CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1 T4628
CCN(CC)C(=O)c1ccc(Cl)cc1 T4630
CC(C)N(C(C)C)C(=O)c1ccc(Cl)cc1 T4631
O=C(c1ccc(Cl)cc1)N(CCC)CCC T4632
CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 T4633
CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(nc1)C(=O)NC T4634
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 T4635
O=C1NC(=O)\C(S1)=C\c1c[nH]c(=O)c(c1)-c1ccc(nc1)N1CCNCC1 T4636
FC(F)(F)c1nnc2c(Sc3ccccc3)nc3ccc(Cl)cc3n12 T4637
CC(C)c1ccc(cc1)-c1cn2nc(sc2n1)N1CCC(CN2CCN(C)CC2)CC1 T4638
COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 T4639
Fc1cc(Cl)cc(N\C(NC(=O)c2cccc(Cl)c2)=N\c2cc([nH]n2)C(F)(F)F)c1 T4640
CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 T4641
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 T4642
Nc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)nc1 T4643
CC(C)c1c(O)cc(\C=C\c2ccccc2)cc1O T4644
Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F T4645
Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F T4646
CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1[N+]([O-])=O T4647
CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(n1)-c1ccccn1 T4648
COc1ccc(cc1)S(=O)(=O)Nc1cc(c(O)c2ccccc12)-c1c(O)ccc2ccccc12 T4650
C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O T4652
C\N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 T4654
C(Cc1cc(nc2ccccc12)-c1ccccc1)C1CCNCC1 T4655
O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12 T4656
COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC T4657
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C(=C3)Br)O)Br)OC.Cl T4657L
CCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC T4658
O=S(=O)(Nc1ccc(F)cc1)c2ccccc2 T4659
COc1cc2ncnc(Nc3ccc(cc3)[N+]([O-])=O)c2cc1OC T4660
Cc1[nH]c2ccccc2c1\C=C1/NC(=S)NC1=O T4661
CCc1ccc(OCC(=O)Nc2ccc(F)c(c2)[N+]([O-])=O)cc1 T4662
CC(=O)Nc1ccc(cc1)C1=Nc2ccc(Cl)cc2OC1 T4663
Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccccc1 T4664
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 T4665
OC(c1ccc(NC(=O)c2ccccc2Cl)cc1)(C(F)(F)F)C(F)(F)F T4670
COc1cc(cc(CN(C)CCc2ccc(cc2)[N+]([O-])=O)c1O)N(C)C T4671
C/C=C(C)\C(O[C@H]1[C@@]([C@@H]2C)([H])[C@@](OC2=O)([H])C[C@@H](C)[C@@]3([H])[C@]1(C(C=C3)=O)C)=O T4672
CCOC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccccc1 T4674
OC(=O)c1cnsc1 T4675
Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F T4679
Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F T4680
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 T4681
Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O T4683
Cl.C(Nc1nc(nc2CCCCc12)N1CCOc2ccccc12)c1ccccc1 T4684
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O T4685
Clc1ccc2NC(=O)CN=C(c3ccc[nH]3)c2c1 T4687
Cl.C(Cc1cc(nc2ccccc12)-c1ccccc1)C1CCNCC1 T4688
Cl.Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 T4689
Cl.COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 T4690
Cl.CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 T4691
Cl.O=C1NC(=O)\C(S1)=C\c1c[nH]c(=O)c(c1)-c1ccc(nc1)N1CCNCC1 T4692
NCCOB(c1ccccc1)c1ccccc1 T4693
Cl.COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC T4694
C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3OCOc3c2)c(F)c1)C(O)=O T4695
Cl.COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O T4696
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O T4697
Fc1cc2C(=O)NCCc3c[nH]c(c1)c23 T4698
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1 T4699
COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1 T4701
[Cl-].C[N+](C)(C)CCCC(O)=O T4702
NCCP(O)(O)=O T4703
O[N+]([O-])=O.Cn1cncc1C[C@H](NC(=O)CCN)C(O)=O T4704
NC(CCCC(O)=O)C(O)=O T4705
[Na+].[Na+].OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O T4706
Nc1c(O)cccc1C(O)=O T4707
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O T4708
Cl.N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O T4709
Cl.COc1cc(CCN)ccc1O T4710
OC(=O)c1cnc(O)nc1O T4711
O[C@H]1CN[C@H](C1)C(O)=O T4712
O.O.O.O.[Cl-].[Ca++].C[N+](C)(C)CCOP([O-])([O-])=O T4713
COC(=O)Cc1c[nH]c2ccccc12 T4714
O.Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1 T4715
OC(=O)c1ccc[nH]1 T4716
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T4717
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O T4718
OC[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O T4719
Cl.Oc1cccc(O)n1 T4720
NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O T4721
Cl.CC(=O)OC[C@H](N)C(O)=O T4722
OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O T4723
CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O T4725
[Na+].OC1OC(COP(O)([O-])=O)C(O)C(O)C1O T4726
CC(=O)NCCCC(O)=O T4728
OC(=O)CP(O)(O)=O T4729
O.[Na+].[Na+].Cc1cn(C2CC(O)C(COP([O-])([O-])=O)O2)c(=O)[nH]c1=O T4730
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)n1 T4731
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O T4732
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O T4733
OC(=O)CCCCCCC(O)=O T4734
[Na+].[Na+].OC1CC(OC1COP([O-])([O-])=O)n1ccc(=O)[nH]c1=O T4735
CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N T4736
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1 T4737
[Na+].CCC(O)C([O-])=O T4738
O.O.O.O.[Na+].[Na+].CN(CC([O-])=O)C(=N)NP(O)([O-])=O T4739
CCCCCCCC\C=C\CCCCCCCC(O)=O T4740
OC(=O)CNC=O T4741
OC(=O)Cc1c[nH]c2ccc(O)cc12 T4744
OC(=O)c1ccnc2ccccc12 T4745
c1nc2cncnc2[nH]1 T4746
CC(C)=CCO T4747
OC1COC(O)CO1 T4748
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C T4749
C[C@@H](O)[C@@H](C)O T4751
NC1(CC1)C(O)=O T4752
Cl.OC(=O)Cc1cnc[nH]1 T4753
Cl.Cl.Cc1ncc(CO)c(CN)c1O T4754
Cl.NCC(N)C(O)=O T4755
N[C@@H](CCO)C(O)=O T4757
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 T4758
OC(=O)\C=C\c1c[nH]cn1 T4759
OCc1cccc(O)c1 T4760
Cl.Cc1ncc(CO)c(C=O)c1O T4761
OC(=O)[C@@H]1CCCCN1 T4762
O[C@@H]1CCCC[C@H]1O T4763
COC(=O)CCCC(O)=O T4764
CCCC[C@H](N)C(O)=O T4765
CC(CC(O)=O)CC(O)=O T4766
NC=O T4767
CCOC(=O)C(C)C(=O)C(=O)OCC T4768
Nc1cc(ccc1O)C(O)=O T4770
CC(C)CC(N)C(O)=O T4772
CCOC(=O)CC(O)=O T4773
CCCCCCCCCCCCCCCCCCCC(O)=O T4775
OCC(O)CO T4776
Oc1cccc(C=O)c1 T4778
Cc1ccc(O)c(O)c1 T4779
OC(=O)c1ccc2ccccc2n1 T4780
CC(=O)N[C@@H](Cc1ccccc1)C(O)=O T4781
COc1ccccc1Nc1nc(cs1)-c1sc(NC(C)=O)nc1C T4783
C[C@H](O)c1ccccc1 T4784
N[C@H](C(O)=O)c1ccc(O)cc1 T4785
OC[C@@H](O)[C@@H](O)[C@@H](O)C=O T4786
CC(C)(O)C(O)=O T4787
CCC[C@H](N)C(O)=O T4788
OC(=O)c1ccc2ccccc2c1O T4789
OC(=O)CCCC(O)=O T4794
OC(=O)CCCCCC(O)=O T4795
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC T4797
CC(C)C[C@H](NC(C)=O)C(O)=O T4798
c1cc2ccccc2[nH]1 T4799
Cc1cnc(C)cn1 T4801
[H][C@@]12C[C@@H](CC[C@@]1(C)CCC[C@@]2(C)O)C(=C)C(O)=O T4802
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1O T4803
CC(=O)C(O)=O T4804
O=c1cccc[nH]1 T4805
N[C@H](Cc1c[nH]c2ccccc12)C(O)=O T4806
[K+].C\C=C\C=C\C([O-])=O T4807
OS(O)(=O)=O.NCCCCNC(N)=N T4808
NCCCCNC(N)=N T4808L
c1cncnc1 T4809
OC(=O)c1cccc(O)c1O T4810
C[C@@H](N)C(O)=O T4811
O=C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O T4812
N[C@@H](CCCNC(N)=O)C(O)=O T4813
OC(=O)[C@H]1CCC(=O)N1 T4814
OC(=O)CNC(=O)c1ccccc1 T4815
OC(=O)c1ccc(=O)[nH]c1 T4816
CC(C(O)=O)C(O)=O T4817
OC[C@@H](O)[C@@H](O)CC=O T4818
OC(=O)C1CCCCN1 T4819
O=C1NC(=O)C=C1 T4820
O=C1CCCCO1 T4821
CC(=O)NCC(O)=O T4822
OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO T4823
Cc1cc2nc[nH]c2cc1C T4824
O[C@@H]1COC(O)[C@H](O)[C@H]1O T4825
O.Cl.N[C@@H](Cc1c[nH]cn1)C(O)=O T4826
Cl.CN(C)C T4827
CC1(C)COC(=O)[C@@H]1O T4828
OC(=O)Cc1cccc(O)c1 T4829
CC(C)(N)C(O)=O T4831
Nc1ccnc(O)n1 T4832
CC(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O T4833
NC(=O)Cc1c[nH]c2ccccc12 T4834
Nc1ccccc1S(O)(=O)=O T4835
OC(=O)CC(=C)C(O)=O T4837
O[C@@H](CC(O)=O)C(O)=O T4838
C[C@H](NC(C)=O)C(O)=O T4839
OC(=O)c1cccc(O)c1 T4840
c1cn[nH]c1 T4842
O.OC(=O)C=O T4843
CSCC[C@H](N)C(O)=O T4844
C[C@H](O)C(O)=O T4845
OC(C(O)=O)c1ccccc1 T4848
OC(=O)c1ccccn1 T4850
COC(=O)CC(C)=O T4851
[Cl-].C[n+]1cccc(c1)C(N)=O T4853
[Li+].CC(=O)CC([O-])=O T4854
CCCCCCCCCCCCCCCCCCCCCCC(O)=O T4855
CC(=O)N[C@@H](CCCCN)C(O)=O T4856
O=c1[nH]c2nccnc2c(=O)[nH]1 T4857
OC(=O)C(=O)Cc1ccc(O)cc1 T4858
CCCCCCCCCCCCCC(=O)OCC(O)CO T4859
O.OS(O)(=O)=O.CN1CC(=O)N=C1N.NCCc1c[nH]c2ccc(O)cc12 T4860
OC(=O)C\C(=C/C(O)=O)C(O)=O T4861
OC(=O)CC(=O)C(O)=O T4862
NC(CCS)C(O)=O T4863
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O T4864
Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O T4866
CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O T4867
CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O T4868
OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O T4869
CCCCCCCCCCC\C=C/CCCCC(O)=O T4870
N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O T4871
CCCCCC\C=C/CCCCCCCC(O)=O T4872
NCC(O)c1ccccc1 T4873
[Cl-].Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N T4874
O.OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O T4875
OCCc1c[nH]c2ccccc12 T4876
N[C@@H](C(O)=O)CCSSCC[C@H](C(O)=O)N T4877
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]11CC[C@@H](C)CO1 T4878
OCCCCCCCCCCCC(O)=O T4879
OC(=O)[C@@H]1CC(=O)NC(=O)N1 T4880
NCCOP(O)(O)=O T4881
OC[C@H]1OC(O)[C@@H](O)[C@@H]1O T4882
CN(CC(O)=O)C(N)=N T4883
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O T4884
N[C@H](CC(O)=O)C(O)=O T4885
O=C1CCNC(=O)N1 T4886
CC(CN)C(O)=O T4887
O.[Na+].[Na+].CN(CC(O)=O)C(=N)NP([O-])([O-])=O T4888
NC(CCCC(N)C(O)=O)C(O)=O T4889
N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O T4890
[Na+].[O-]C(=O)C(=O)Cc1ccccc1 T4891
OC(=O)CCc1ccccc1O T4892
NCCCCNCCCN T4893
OC[C@H](O)C(O)[C@@H](O)CO T4894
Cl.Cl.NCCCCCN T4895
OC[C@@H](O)[C@H](O)[C@H](O)C=O T4896
[K+].OC(=O)C(=C)OP(O)([O-])=O T4898
Cl.Cl.N[C@H](CO)Cc1c[nH]cn1 T4899
CCC=CCC1C(CC(=O)OC)CCC1=O T4900
O.[Na+].[Na+].Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP([O-])([O-])=O)C(O)C1O T4901
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O T4902
CCCCCCCCCCCCCCCCC(O)=O T4903
Cl.CNC(N)=N T4904
NC(=O)\C=C/C(O)=O T4905
O[C@@H]([C@H](O)C(O)=O)C(O)=O T4906
OC(=O)Cc1ccc(O)c(O)c1 T4907
CSCCC(NC(C)=O)C(O)=O T4909
OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T4911
COc(ccc1cc(-c(cc2OC)c(CC3)cc2O)[n+]3cc11)c1OC.[Cl-] T4912
OC(=O)\C=C/C(O)=O T4913
[Na+].[Na+].OC(O)(C([O-])=O)C([O-])=O T4914
O.[Na+].[Na+].OCC(CO)OP([O-])([O-])=O T4915
[K+].OC(C(O)C(O)C([O-])=O)C(O)C(O)=O T4916
OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O T4917
OCC(O)C=O T4918
NC(=O)NCCC(O)=O T4919
[Na+].OC(=O)CCC(=O)C([O-])=O T4920
OC(=O)CCCC(=O)C(O)=O T4921
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T4923
O.[Na+].[Na+].OCC1OC(OP([O-])([O-])=O)C(O)C(O)C1O T4924
O.O.[Cl-].Cc1c(CCOP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N T4925
NC(=N)NCCCC(O)=O T4927
N[C@@H](CC(=O)c1ccccc1N)C(O)=O T4928
OCC(OP(O)(O)=O)C(O)=O T4929
CC(C)C=NO T4930
O.OC(=O)C(\O)=C(/O)C(O)=O T4931
CC(=O)N[C@@H](CC(N)=O)C(O)=O T4933
Cn1cnc(C[C@H](N)C(O)=O)c1 T4934
Cl.NCC(O)CCC(N)C(O)=O T4937
[K+].[O-]S(=O)(=O)Oc1c[nH]c2ccccc12 T4938
OC(=O)C(=O)Cc1c[nH]c2ccccc12 T4939
Cl.Cl.Cn1cncc1CCN T4940
[Na+].[Na+].OCC1(O)OC(COP([O-])([O-])=O)C(O)C1O T4941
O.O.O.O.O.[K+].[K+].OCC1OC(OP([O-])([O-])=O)C(O)C(O)C1O T4942
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO T4943
CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O T4944
Cl.COc1cc(ccc1O)C(O)CN T4945
CC(=O)OC(C)(C)[C@@H]1Cc2c(O1)ccc1ccc(=O)oc21 T4946
CC(O)CC(O)=O T4947
O.[K+].[K+].CC(O)(CC([O-])=O)C([O-])=O T4948
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12 T4951
CC[C@@]1(C(OCc(c1cc2n3Cc4c2nc(ccc(O)c5)c5c4)c3=O)=O)O T4952
CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23 T4953
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)OC(C)=O)O[C@]11CC[C@@H](C)CO1 T4954
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 T4954L
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O T4955
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)Oc2c(C=Cc3ccc(O)cc3)cc(O)cc2O T4956
[H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)C(O)=O T4957
CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O T4958
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO T4959
O[C@H]1CCN2Cc3ccccc3N=C12 T4960
COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C T4965
Cl.COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C T4965L
CCCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F T4966
Cl.CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N T4967
CC(C)CNc1ccnc(NCc2csc(n2)-c2ccccc2)n1 T4968
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 T4970
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T4971
[Na+].[Na+].[Na+].Nc1ccn(C2CC(O)C(COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1 T4972
Cn1cnc2[nH]c(=O)n(C)c(=O)c12 T4973
Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2OCOc2c1)C12CCC(CC1)(CC2)C(N)=O T4975
CC(C)=CCOc1ccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2OCC(O)=O)cc1 T4977
Cl.COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(O)=O)c1 T4978
Cl.OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1 T4979
[Br-].CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C T4981
[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1 T4982
CS(O)(=O)=O.CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 T4983
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 T4983L
Cl.CCCCCOc1ccccc1\C(=C/SC)n1ccnc1 T4985
Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 T4986
[Ca++].OCC(O)C(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C(O)C([O-])=O T4987
C[C@@H]1O[C@@H]1P(O)(O)=O.NC(CO)(CO)CO T4989
[Na+].CC(O)C1C2C(C)C(SC3CNC(C3)C(=O)Nc3cccc(c3)C([O-])=O)=C(N2C1=O)C(O)=O T4991
Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O T4993
COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC)\c1csc(N)n1)C2=O)C(O)=O T4998L
[Na+].COCC1=C(N2C(SC1)C(NC(=O)C(=N/OC)\c1csc(N)n1)C2=O)C([O-])=O T4998L2
CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 T4999
CC(=O)O[C@H]1[C@H]2O[C@]22[C@@H]3CC[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 T4A2399
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 T4A2456
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@]11O[C@@H]1C[C@@H]2c1ccc(=O)oc1 T4A2458
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 T4A2462
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O T4P2931
OS([O-])(=O)=O.C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4-c3cc2O1 T4S0051
COC1=C(C)C(=O)O\C1=C1/O[C@@H]2CCCN3[C@@H](CC[C@H]3[C@H]2[C@@H]1C)[C@@H]1C[C@H](C)C(=O)O1 T4S0083
COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O T4S0094
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3CN2C1 T4S0111
C\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O T4S0145
C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O T4S0171
O=C(CCc1ccccc1)\C=C\C=C\c1ccccc1 T4S0176
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 T4S0217
COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 T4S0227
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T4S0295
COc1c(O)c(O)ccc1\C=C\C(=O)c1ccc(O)cc1 T4S0350
OC[C@H]1O[C@@H](OC\C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O T4S0398
CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)CCC1=O)C(=C)C4=O T4S0498
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]1(O)[C@@H]([C@@H]2O[C@@H]2C1(C)C)[C@]3(C)O T4S0528
CCN1C[C@]2(C)CCC[C@]34C1[C@H](C[C@H]23)C12CCC([C@H](O)C41)C(=C)[C@H]2O T4S0536
CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@H]([C@H](OC)[C@H]23)C14 T4S0537
Cc1coc2C\C(C)=C\CC\C(C)=C\C(=O)c12 T4S0544
O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O T4S0578
C[C@@]12C[C@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)C=C2)c1ccoc1 T4S0590
COc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)O T4S0592
CCCCC1OC(=O)c2ccccc12 T4S0647
COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 T4S0692
COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4OC T4S0779
[H][C@@]12C[C@@]([H])(C(=O)O1)[C@@]1([H])[C@]3([H])C[C@@]4(O[C@H](C[C@@]4(C)[C@]1([H])C2)c1ccoc1)C(=O)O3 T4S0790
COc1cc2[C@H]3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O T4S0794
[Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O T4S0795
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC T4S0797
COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC T4S0800
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)C5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)C23)C14 T4S0818
CC(C)CCC(=O)c1c(O)cc(C)oc1=O T4S0867
COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O T4S0878
CC(=O)O[C@]12CCC(C)=CC[C@]11CC[C@H]2[C@](C)(OC1=O)\C=C\C=C(/C)C(O)=O T4S0931
COc1c(O)c(C)cc2C(=O)c3cccc(O)c3C(=O)c12 T4S0969
OC[C@H]1O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@@H](O)[C@@H]1O T4S0998
COc1cc(O)c(CC=C(C)C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1 T4S0999
COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 T4S1050
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C([C@@H](O)C[C@]13C)C(=O)OC4)[C@@H]2O T4S1057
[Cl-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O T4S1321
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O T4S1335
C\C=C(\C)C(=O)OC1C(OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21 T4S1419
C\C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)C(\C)=C/C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 T4S1421
C\C=C(\C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(OC1(C)C)ccc1ccc(=O)oc21 T4S1422
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O T4S1452
C[C@H]1C2[C@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O[C@@H](CC1=O)C(C)(C)O T4S1472
COc1cc(ccc1O)[C@@H](O)[C@H](C)Oc1c(OC)cc(CC=C)cc1OC T4S1540
COc1cc(\C=C\C)cc2[C@@H](C)[C@@H](Oc12)c1ccc2OCOc2c1 T4S1545
O=CC=Cc1ccccc1 T4S1551
CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O T4S1637
Oc1c2occc2cc2ccc(=O)oc12 T4S1659
COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 T4S1725
CCN1C[C@]2(C)CC[C@H](O)[C@]34C1C(C[C@H]23)[C@@]12C[C@@H]([C@H](O)C[C@@H]41)C(=C)[C@H]2O T4S1869
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@@]3([C@@H]1C[C@@]3(O)[C@H](O)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC T4S1881
C[C@@]1(CO)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO T4S1943
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC)cc4cc3Cn1c2=O T4S1951
COc1cc(OC)c(\C=C/C)cc1OC T4S1962
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]23CO[C@H](CC2=O)C(C)(C)[C@H]3[C@H](O)C1=O T4S1980
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 T4S1983
CC(C)c1ccc(C)c(O)c1 T4S1990
CC(C)CC(=O)O[C@H]1C=C2[C@H]([C@H](OC(=O)CC(C)C)OC=C2COC(C)=O)[C@@]11CO1 T4S1999
CN1Cc2c3OCOc3ccc2-c2ccc3cc4OCOc4cc3c12 T4S2012
C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 T4S2063
COc1cc(ccc1O)-c1coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc2c1=O T4S2084
[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C T4S2157
COc1cc2ccc(=O)oc2c(OC)c1OC T4S2354
CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C T5000
OC(=O)CNC(=O)c1ccccc1I T50000
CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12 T50001
I.NC(=N)N1CCc2ccccc2C1 T50003
CC(O)=O.Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 T50004
Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 T50005
CN1Cc2ccccc2NC1=O T50006
OC(C=C)c1ccccc1 T50007
Cc1ccc(C)c(OCCCC(C)(C)C(N)=O)c1 T50008
Cl.Cl.NNCCc1ccccc1 T50010
CC(C)CNCc1cccc(c1)C(F)(F)F T50011
Clc1cccc(c1)-c1csc(=O)[nH]1 T50012
OC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1 T50013
CC1CC(=O)Nc2ccccc2S1 T50014
Cc1nc(N)sc1C(=O)NN T50016
Cl.Cl.Clc1cccnc1N1CCNCC1 T50018
OC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)s1 T50019
Cl.COC(=O)CCC(=O)CN T5002
Cl.C1CN(CCN1)c1nnnn1-c1ccccc1 T50020
OC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc12 T50021
Fc1ccccc1-c1csc(=O)[nH]1 T50022
CCOC(=O)c1cnn(c1C(F)(F)F)-c1ccc(N)cc1 T50023
Cc1c(C)c2c(N)ncnc2n1Cc1ccccc1 T50024
OC(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1 T50025
Cl.CN(C)[C@H]1C2[C@@H](O)C3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O T50026
Fc1ccc2c(c[nH]c2c1)C1=CCNCC1 T50028
C(N(Cc1ccccc1)\N=C\c1ccccn1)c1ccccc1 T50029
Cl.NC(=N)Nc1ccc(F)cc1F T50030
OC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23 T50031
CCCNC(=O)c1cc(on1)-c1ccco1 T50032
OC1=NC(=S)N=C(O)C1=Cc1ccco1 T50033
Cl.Cl.C1CN(CCN1)c1nc[nH]c2nccc12 T50034
Cc1cc2ccccc2[nH]c1=O T50035
CCOC(=O)c1ccccc1OC(N)=O T50036
Cl.CC(N)Cc1cccc(O)c1 T50039
[Na+].CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C([O-])=O T5004
COc1cccc(NC(=O)C=C)c1 T50040
COc1ccc(NC(=O)C=C)cc1 T50041
Nc1ncnc2scc(-c3ccccc3)c12 T50042
Nc1cccc2c1cc[nH]c2=O T50044
OC(=O)C=CC(O)=O.CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 T50045
Cl.CC(C)C(N)C(=O)NC(Cc1ccccc1)C(O)=O T50046
Cl.CN(C)CC(=O)c1ccc(O)c(O)c1 T50047
CC1(C)CC(=O)Nc2ccccc2N1 T50048
Cl.Cc1[nH]cnc1CCN T50049
Cl.CCc1ccc(cc1)C(=O)C(C)CN1CCCCC1 T5005
CC(C)(O)C(O)C(O)=O T50050
CCOC(=O)C(C(=O)OCC)c1cccc(OC)c1 T50051
CC(N)(Cc1ccccc1)c1ccccc1 T50052
Cc1[nH]cnc1-c1ccc(Cl)cc1 T50053
Cl.CN(C)CCCN1c2ccccc2S(=O)c2ccc(Cl)cc12 T50054
CCCCCNCC(N)=O T50055
NS(=O)(=O)c1ccc(cc1)-n1ncc(Br)c(Br)c1=O T50056
Oc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1Cl T50057
I.NC(=N)NCC1CCCCC1 T50058
C=Cc1ccc2ncccc2c1 T50059
[Na+].Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O)-c1c(F)cccc1Cl T5006
OC(=O)C(F)(F)F.OC(=O)CNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T50060
NCC1(CCOCC1)N1CCN(CC1)c1ccccc1 T50061
CN(C)S(=O)(=O)c1cc(Cl)c(OC(F)F)cc1Cl T50062
Cl.CC1(CN)Cc2ccccc2C1 T50063
COc1ccc(cc1)C(=O)COC(=O)c1cc(C)ccc1O T50064
[Br-].[Br-].C(CCCCC[n+]1ccccc1)CCCC[n+]1ccccc1 T50066
NC(=O)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC1=O T50068
CCCCCn1cc(C(O)=O)c2ccccc12 T50069
OP(O)(O)=O.CC(COc1ccccc1Cc1ccccc1)N1CCCCC1 T5007
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)CCc1ccccc1 T50070
Nc1c(cnn1-c1ccc(cc1)C(F)(F)F)C#N T50071
Cc1noc(C)c1-c1ccccc1 T50075
COc1cc(OC)cc(\C=C\C(=O)c2ccccc2OC)c1 T50076
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC(C)C T50077
CCCCCSc1nc(O)cc(O)n1 T50078
CCOc1ccc(cc1OC)-c1nc(CSc2nc(N)cc(N)n2)cs1 T50079
CC(COc1ccccc1Cc1ccccc1)N1CCCCC1 T5007L
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O T5008
O=c1nc2oc3ccccc3cc2c(=O)[nH]1 T50080
CSc1ccccc1OCC(O)CNC(C)C T50081
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C T50082
CC(C)N1CCC(CC1)NC(=O)c1ccc2c(c1)nc1CCCCCn1c2=O T50083
COc1ccc(NC(=O)\C=C\c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 T50084
CS(=O)(=O)CS(=O)(=O)OCCCl T50086
Cn1cc(cc1C(O)=O)C(=O)c1cccc2ccccc12 T50087
N=C(Nc1ccccc1)c1cccs1 T50088
NCCc1c[nH]c2c(Cl)cc(Cl)cc12 T50089
Cl.COc1cc(cc(OC)c1OC)C(=O)NCc1ccc(OCCN(C)C)cc1 T5009
c1ccc(cc1)C#Cc1cccnc1 T50090
Cl.Cl.NC(=N)NCCCCCCCCNC(N)=N T50091
Cl.Cl.NC(=N)NCCCCCCCNC(N)=N T50092
CC(Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1sc2CCCc2c1C(N)=O T50093
NC(Cn1ccc(=O)[nH]c1=O)C(O)=O T50094
Cl.CC1(C)CC(C)(C)CC(C)(N)C1 T50096
O=c1[nH]c2sccc2c2ccccc12 T50098
COC(=O)c1sccc1NN=C(C#N)S(C)(=O)=O T50099
CC(C)c1c(C)n(C)n(-c2ccccc2)c1=O T5010
CCC(O)(CC(N)=O)c1ccccc1 T50100
Cc1ccc2c(CC(=O)N3CCN(CC3)S(=O)(=O)c3ccc4OCCOc4c3)coc2c1 T50101
CSc1ncc2C(=O)N(CN(C)c2n1)c1c(Cl)cccc1Cl T50102
COc1ccc(CNS(=O)(=O)c2cc(ccc2F)C(=O)Nc2ccc(C)c(F)c2)cc1 T50103
CCn1cc(C(O)=O)c(=O)c2cc(Cl)c(cc12)N1CCN(C)CC1 T50105
CCOC(=O)c1c[nH]n(-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1=O T50107
Cl.NCCc1c[nH]c2cc(F)ccc12 T50111
Cl.Cl.Cc1nc(N)sc1CCN T50112
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@H]1C(O)=O T50113
Cl.C1CC2CC(CC1N2)Oc1ccccc1 T50115
CCOc1ccc2nc(sc2c1)S(N)(=O)=O T5012
Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F T5013
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O T5014
O.CCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 T5016
Cl.Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 T5017
Cl.CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 T5023
OP(O)(O)=O.CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(C)cc31 T5027
CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O T5029
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1 T5032
Cc1[nH]c(=O)c(cc1-c1ccc2nccn2c1)C#N T5033
Cl.CNC(C)Cc1ccccc1OC T5035
[Na+].CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSc1ccncc1)C2=O)C([O-])=O T5038
[Na+].Nc1ccc(cc1)C(=O)NCC([O-])=O T5039
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 T5040
[Na+].CC(O)C1C2SC(C3CCCO3)=C(N2C1=O)C([O-])=O T5041
COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 T5044
CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 T5045
CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O T5046
OC(=O)\C=C/C(O)=O.Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N T5047
Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1 T5049
Cl.C[C@H](Cc1ccccc1)N(C)CC#C T5050
[I-].CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C T5051
Cc1cc(ccc1Oc1ccc(cc1)S(=O)(=O)C(F)(F)F)-n1c(=O)[nH]c(=O)n(C)c1=O T5052
Clc1ccc(cc1)C(=O)NCCCN1CCOCC1 T5053
CC(C)(C)C(=O)N1N=CCC1c1ccccc1 T5054
CSCC[C@H](NC=O)C(O)=O T5055
Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 T5056
NC(COP(O)(O)=O)C(O)=O T5057
C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 T5058
O[C@H]([C@@H](O)C(O)=O)C(O)=O T5059
CCC(=O)C(O)=O T5060
Cc1cc2nc3c(nc(=O)[nH]c3=O)[nH]c2cc1C T5061
O.O[C@@H]([C@@H](O)C(O)=O)C(O)=O T5062
CC(CCC(O)=O)C(O)=O T5063
O.O.OC(=O)C(O)=O T5064
[Na+].Nc1nc2n(cnc2c(=O)[nH]1)C1OC2COP([O-])(=O)OC2C1O T5065
[Cl-].C[N+](C)(C)CCCC[C@H](N)C(O)=O T5066
O.[Na+].OC1OC(C(O)C(O)C1O)C([O-])=O T5068
[K+].OC1OC(COP(O)([O-])=O)C(O)C(O)C1O T5069
Oc1cc(O)c2c(cc(=O)oc2c1)-c1ccccc1 T5070
CC(C)CC(=O)C(O)=O T5071
O.C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C T5072
O.[Na+].[Na+].OC1C(COP([O-])([O-])=O)OC(C1O)n1cnc2c1[nH]cnc2=O T5073
C[C@H](O)[C@H](N)C(O)=O T5076
[Na+].CC(CCC([O-])=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C T5077
O.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T5078
[Na+].[Na+].[Na+].Nc1ncnc2n(cnc12)C1OC(COP([O-])(=O)OP([O-])([O-])=O)C(O)C1O T5079
Cl.Cl.Cl.NCCCCNCCCN T5080
O.Cl.Nc1ncnc2nc[nH]c12 T5081
[Ca++].CSCCC(O)C([O-])=O.CSCCC(O)C([O-])=O T5082
O.N[C@@H](CS(O)(=O)=O)C(O)=O T5083
O.O.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O T5084
O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O T5086
[Na+].[Na+].[Na+].OC(C(CC([O-])=O)C([O-])=O)C([O-])=O T5087
[Na+].[O-]C(=O)Cc1c[nH]c2ccccc12 T5088
NCCCCC(O)=O T5089
CCC(C)C=O T5090
CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N T5091
C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 T5092
O=C(Nc1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N)c1cccnc1 T5093
C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccccn12 T5094
CCOC=C1N=C(OC1=O)c1ccccc1 T5095
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 T5096
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O T5099
CNc1ncnc2n(Cc3ccccc3F)cnc12 T5101
O=C(Nc1nncs1)c1cccnc1 T5102
[O-][N+](=O)c1ccccc1\C=C1\SC(=S)NC1=O T5103
O=C1N(N=C(\C1=N/Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 T5104
C1CN(CCN1)c1ccccn1 T5105
CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O T5106
CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1ccc2cccnc2c1O T5108
Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccc(F)cc1 T5109
COc1cc(ccc1NC(=O)c1csc(n1)-c1cccnc1)N1CCOCC1 T5110
BrCc1ccc(cc1)-c1ccccc1C#N T5111
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC T5112
OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O T5113
CC(C)(C)c1ccc(CSc2cnn(c(=O)c2Cl)C(C)(C)C)cc1 T5114
[Zn++].CC(CNC([S-])=S)NC([S-])=S T5115
CC(C)NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 T5116
FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl T5117
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl T5118
O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1 T5119
C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O T5120
Cc1cc(c(NS(=O)(=O)c2cccc(c2)C(O)=O)cc1-c1cccnc1)[N+]([O-])=O T5122
CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)ccn1 T5125
Cl.O=C(NC1CCCCC1)N(CC1CCNCC1)Cc1ccccc1 T5129
Cl.COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(OC)c2)c1 T5140
O.[Na+].[Na+].OC[C@H](OP(O)([O-])=O)C([O-])=O T5141
[O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1 T5142
Cl.[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]21C(=O)Nc2ccccc12)C(=C/OC)\C(=O)OC T5143
CC(=O)O.NC(=O)[C@@H]3CSSCCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2cnc1ccccc12)C(=O)N4CCC[C@H]4C(=O)N3 T5146
CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@@H]2Cc3c(C[C@H]12)cccc3OCC(O)=O T5150
COc1ccc2[nH]cc(C=O)c2c1 T5151
[Cl-].CCn1c(=Cc2cccc[n+]2CC)s\c(=C2\Sc3ccccc3N2C)c1=O T5152
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(I)cc1 T5154
NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N T5155
CC(C)[C@]12CC[C@]3(OO1)C(CC[C@H]1[C@@](C)(CCC[C@]31C)C(O)=O)=C2 T5157
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 T5158
Cl.COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 T5159
OC(c1ccc(NS(=O)(=O)c2cccs2)cc1)(C(F)(F)F)C(F)(F)F T5160
CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F T5163
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F T5166
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 T5167
FC(F)(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 T5168
COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC T5169
Cl.CC(C)CNc1ccnc(NCc2csc(n2)-c2ccccc2)n1 T5170
[Na+].CCCCCC(O)CCC1C(O)CC2Cc3c(CC12)cccc3OCC([O-])=O T5171
COc1ccc2c(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)ncnc2c1 T5172
Fc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1 T5173
CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C T5174
CC(C)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O T5175
OC(=O)CNC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O T5176
O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 T5177
CC(C)(C)N1C(=O)C(Nc2ccc(cc2)N2CCCCC2)=C(c2ccccc2)S1(=O)=O T5178
CNc1nn2c(C)c(N(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1 T5179
Nc1nc2c(ccc3ccccc23)s1 T5180
COc1ccc(\C=C2/CN(C)C\C(=C/c3c[nH]c4ccccc34)C2=O)cc1OC T5181
[O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cccc1\C=C(/C#N)S(=O)(=O)c1ccc(F)cc1 T5182
CC[C@H]1NC(=O)N(C1=O)c1ccc(Oc2ccc(C)c(OC)c2)nc1 T5183
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 T5184
CC(C)c1ccc(CC(=O)N2CCN(CC2)c2ccc(nn2)C#N)cc1 T5185
CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O T5186
Cc1ccc(Oc2nc3cc(Cl)c(cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O T5187
O=C(Nc1cccc(c1)-c1nncn1C1CC1)c1cc(ccn1)-n1cnc(c1)C1CC1 T5190
CN(C)CCc1nnc2cc(-c3ccccc3)c3cc(Cl)ccc3n12 T5191
Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@H]1CCCNC1 T5193
OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 T5195
[Na+].[O-]C(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 T5195L
COC(=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 T5196
CCN(C)C(=O)c1ccc2\C(=C(\Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 T5197
Nc1nc(=O)n(cc1Cl)-c1cccc(c1)-c1ccccc1 T5198
[H][C@]12O[C@@](C=C1)([C@@H](Cc1ccc(C)cc1)Nc1ccccc1)C(C(=O)OC)=C2C(=O)OC T5199
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 T5200
[Na+].[Na+].OC(C(O)C([O-])=O)C([O-])=O T5203
Oc1n[nH]c2cc(F)ccc12 T5206
COc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccc(Cl)cc1 T5207
OC(=O)c1ccccc1NC(=O)c1cc(ccc1Cl)S(=O)(=O)c1ccccc1 T5208
CCc1ccc(NC(=O)Nc2ccccc2)cc1 T5209
OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 T5210
S=C(Nc1ccccn1)c1ccccn1 T5211
[Li+].[K+].CC(=O)OP([O-])([O-])=O T5213
OC(=O)CNCCC(=O)c1ccccc1 T5215
[Ca++].OCC(O)C(O)C([O-])=O.OCC(O)C(O)C([O-])=O T5216
OC(=O)CNC(=O)Cc1ccccc1 T5217
OC[C@H](O)[C@@H](O)CO.OC[C@@H](O)[C@H](O)CO T5218
CC[C@@H](C)[C@H](N)C(O)=O T5219
[Na+].CC(O)C([O-])=O T5220
OC(=O)CNC(=O)c1ccccc1O T5221
CC(=O)NCCCCCN T5222
CCCCCCCCCCCCCCCCCCCCC(O)=O T5223
CCCCC(O)C(O)=O T5224
NCCS(O)=O T5225
Cc1ccccc1C(=O)NCC(O)=O T5226
OC(=O)CNC(=O)c1cccnc1 T5228
OC(C(O)=O)c1ccc(O)c(O)c1 T5229
OC(Cc1c[nH]c2ccccc12)C(O)=O T5230
CC(CC(O)=O)C(O)=O T5231
CC(C)C(=O)C(O)=O T5232
CNC(=O)c1cccnc1 T5233
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T5234
COc1ccc2[nH]cc(CC(N)C(O)=O)c2c1 T5235
CN1CC(=O)NC1=O T5236
OC(=O)CCCCCCCCCCCCCCC(O)=O T5237
[Na+].CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OS([O-])(=O)=O T5239
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C T5240
NC(C(O)=O)C(O)=O T5244
CC(C)CC(=O)NCC(O)=O T5245
OC(=O)C\C=C\CC(O)=O T5246
O.O.C[N+](C)(C)[O-] T5247
C[C@@H](O)CC(O)=O T5248
O[C@@H]1[C@H]2CO[C@H](O2)[C@H](O)[C@H]1O T5250
OC(=O)C(=O)Cc1ccccc1 T5251
OC(=O)CCCCCCCCCCCC(O)=O T5252
CC(CCC(O)=O)CC(O)=O T5253
[Na+].CC(CCC(=O)NCC([O-])=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C T5254
OCc1c[nH]c(=O)[nH]c1=O T5255
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O T5256
N[C@@H](CCCCNC(N)=O)C(O)=O T5257
N.N.OC(=O)CCCCCCCCCCC(O)=O T5258
[Na+].C[C@H](CCC(=O)NCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T5259
CC(CCC(O)=O)C(O)=O T5260
CCCCC\C=C\C(O)=O T5261
OC(=O)\C=C\c1c[nH]c2ccccc12 T5262
OC(C(O)=O)c1ccc(O)cc1 T5263
NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(O)=O T5265
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC T5266
CC(=O)N[C@@H](CCC(O)=O)C(O)=O T5267
OC[C@@H](O)C(O)[C@H](O)CO T5268
CC(=O)N[C@@H](CCCN)C(O)=O T5269
Cc1c[nH]c(=O)nc1N T5270
COc1ccc2[nH]cc(CCN)c2c1 T5271
COc1cccc(CCC(O)=O)c1 T5272
CC(C)C(O)C(O)=O T5273
O[C@H](Cc1ccccc1)C(O)=O T5274
OC(=O)c1ccc(o1)C(O)=O T5275
NC(CCSSCCC(N)C(O)=O)C(O)=O T5276
OC(=O)c1ccoc1 T5277
OCc1ccc(o1)C(O)=O T5278
CCC(C(O)=O)C(O)=O T5279
N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O T5280
Cc1c[nH]c2ccccc12 T5281
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O T5282
NC(=O)NC(CC(O)=O)C(O)=O T5284
CSCCC(O)=O T5285
NCC(=O)NCC(O)=O T5286
CC(=O)N[C@@H](CC(O)=O)C(O)=O T5287
O.O.CC(=O)N[C@@H](CCCN=C(N)N)C(O)=O T5289
O[C@@H](Cc1ccccc1)C(O)=O T5290
OC(=O)CC(O)=O T5291
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O T5292
CC(C)C[C@H](O)C(O)=O T5294
CCCCCCCCCCCCCCCCCCO T5295
OC(=O)CCc1c[nH]c2ccccc12 T5297
Cc1cc(ccc1O)C(O)=O T5298
[NH4+].[O-]C=O T5300
C\C=C\C(O)=O T5301
OC(=O)[C@H]1CCCN1 T5302
[Na+].OCCS([O-])(=O)=O T5303
CC(C)=CC(O)=O T5305
CC[C@H](N)C(O)=O T5306
OC(=O)Cc1ccccc1O T5308
Cl.CNC T5309
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 T5310
CCOc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(F)c1 T5312
CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O T5313
Cc1ncc(CO)c(\C=N\NC(=O)c2ccncc2)c1O T5314
CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1 T5315
OC(=O)Cn1c2ccccc2c(=O)c2ccccc12 T5317
O=C([O-])CN(C1=C2C=CC=C1)C3=CC=CC=C3C2=O.[Na+] T5317L
Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)S(C)(=O)=O T5319
C=C1CCOC1=O T5320
C=C1CC(=O)OC1=O T5321
NC(=O)C1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 T5322
Cc1cccc(c1)N1CC(CO)OC1=O T5323
Fc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 T5324
CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O T5325
COS([O-])(=O)=O.COc1cc(N)cn[n+]1-c1ccccc1 T5327
OP(O)(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F T5328
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O T5329
Fc1ccc(cc1)-c1nnc(NC(=O)c2ccc(Cl)cc2)o1 T5331
Cc1ccc(cc1NCc1ccccc1)C(=O)NO T5332
Cl.Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)S(C)(=O)=O T5333
Cl.COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 T5336
COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 T5336L
C\C(=N/NC(=O)c1ccc(C)c(Br)c1)c1ccc(O)cc1O T5338
COc1ccc2c(C)nc(NC(N)=N)nc2c1 T5340
CCOC(=O)c1cnc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2=O T5341
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1ccccc1 T5342
O=S(=O)(NCCN1CCNCC1)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 T5343
COCCOCCOc1ccc(C2=N[C@](C)(CS2)C(O)=O)c(O)c1 T5344
Cc1nn(C)cc1CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccccc1N T5347
CC(C)=CCc(c(OC(c1ccc(C(F)(F)F)cc1)=C1O)c(c(O)c2)C1=O)c2O T5348
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C T5352
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cnc2nc(oc2c1)N1CCOCC1 T5354
Cl.CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1 T5356
Oc1ccc(cc1)-c1n[nH]\c(=N/c2ccc(cc2)C(=O)Nc2ccccc2)c2ccccc12 T5357
CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 T5358
Brc1ccc(Nc2nc(cs2)-c2ccccc2)cc1 T5359
CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(O)=O)cc2Br)ccc1O T5360
COc1cccc(CNC(=O)c2nc(=O)c3c(COCc4ccc(cc4)C(O)=O)csc3[nH]2)c1 T5361
COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OC T5362
CC1(C)CCCC(C)(C)N1[O] T5363
CC(C)(C)c1cc(O)ccc1O T5364
OC(=O)[C@@H]1CSC(=O)N1 T5365
Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C T5366
COc1ccc(O)c(c1)C(C)(C)C T5367
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O T5368
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O T5369
O[C@@H](CS)[C@@H](O)CS.O[C@H](CS)[C@H](O)CS T5370
CCCCS(=N)(=O)CC[C@H](N)C(O)=O T5371
C[Se]CC[C@H](N)C(O)=O T5372
CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 T5374
Cl\C(=C/n1cncn1)c1ccc(Cl)cc1Cl T5375
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)=O T5376
COC(=O)CC(=C)C(=O)OC T5377
O=C(Cc1ccccc1)NC1CCC(=O)NC1=O T5379
Cl.CN(C)CC(c1ccc(OC(=O)c2ccc(C)cc2)cc1)C1(O)CCCCC1 T5380
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 T5382
OC(=O)CC(O)=O.C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 T5382L
CC(Nc1nc(nc2ccccc12)N1CCNCC1)c1ccccc1 T5383
Cc1oc(nc1CCN1CCC2(CC1)OC(=O)Nc1ccc(C)cc21)-c1ccccc1 T5384
Fc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1 T5385
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N T5387
OC(=O)c1ccc(nc1)C(O)=O T5388
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC T5389
Cl.CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 T5391
CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 T5391L
OC(=O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccc(Cl)cc3)nc2)C1=O T5392
Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F T5393
CC1Sc2c(C([O-])=O)c(=O)c3cc(F)c(cc3n12)N1CC[NH+](Cc2oc(=O)oc2C)CC1 T5394
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1 T5397
CC(=O)Nc1ccccc1-c1cccc2c3ccccc3[nH]c12 T5399
CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO T5401
O=C(C1=CC(C2=C3N=CC(C4=CC=C(F)C=C4)=CN3N=C2)=CS1)N[C@@H](C5CC5)C(F)(F)F T5403
CN(C)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccccc12 T5405
CC(C(Nc1cc(C2CCN(CC2)Cc3ccc(Oc4cc(F)c(F)cc4)cc3)c(C)cc1)=O)C T5406
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 T5407
CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3C[C@@H](C)C[C@@H](C)C3)ccc2n(C)c1=O T5408
COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)ncnc2c1 T5409
CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 T5410
Cc1c(nc2c3cccnc3ccn12)[C@@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 T5411
Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C(F)(F)F T5413
Cn1cc(cn1)-c1cnc2cnn(c2c1)S(=O)(=O)c1cnc2ccc(cn12)-c1cnn(C)c1 T5414
N.N[C@@H](CCC(=O)Nc1ccc(c(c1)C(O)=O)[N+]([O-])=O)C(O)=O T5415
CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O T5417
CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nc(C)nc2cc(OC)c(OC)cc12 T5418
Cl.CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 T5420
CC1(C)N=C(N)N=C(N)N1C2=CC=C(Cl)C=C2 T5420L
CNC(=O)c1ccc(cc1)-c1cnc2cnc(cn12)C(=O)N(C)c1ccc(Cl)cc1 T5421
Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2)c(Cl)c1 T5422
NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+]([O-])=O)CC1 T5423
CCOCCOc1ccccc1C(N)=O T5424
Fc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1F T5425
COC1=C(OC)C(=O)c2ccccc2C1=O T5426
Cc1c(nnn1Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CO)cc1 T5427
C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C T5428
CCCCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 T5430
CCCCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 T5431
Cc1nnc2[C@H](CC(O)=O)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 T5443
Fc1ccc(\C=C2/SC(=NC2=O)N2CCCCN2)c(OC(=O)N2CCCC2)c1 T5444
Nc1nc2[nH]ccc2c(=O)[nH]1 T5445
Brc1cccc(c1)-c1cc(n[nH]1)-c1ccc2OCOc2c1 T5447
CN(C)c1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1 T5448
CCCn1c2ccccc2nc(CCCOC(=O)NC)c1=O T5449
Cl.CC(C)(C)NCC(O)COc1cccc2COC(=O)c12 T5450
COc1cccc(c1)-c1cnc2c(cnn2c1N)-c1cccnc1 T5451
Nc1c(cnc2c(cnn12)-c1cccnc1)-c1cccc(O)c1 T5452
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1 T5453
CCCCCc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1 T5454
FC(F)(F)c1cccc(c1)N=C1C(=O)N(c2ccccc12)c1ccccc1 T5455
CNc1nc(cs1)-c1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)cn1 T5456
CCOC(=O)C1CSC(Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)N1 T5457
COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1 T5458
COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1 T5460
CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2[nH]ncc2c1 T5461
CC(C)OCCn1c2cc[nH]c2c(=O)[nH]c1=S T5463
COc1ccccc1-c1nc(=Nc2ccccc2)sn1-c1ccccc1OC T5464
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O T5465
CCN1CCC(CC1)Nc1ccc2NC(=O)\C(=C(/c3ncc(C)[nH]3)c3cccc(F)c3)c2c1 T5466
CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F T5468
Oc1ccccc1C(=S)N1CCCC1 T5469
NCCNC(=O)c1ccc(Cl)cn1 T5470
NC(N)=NN=Cc1c(Cl)cccc1Cl T5471
[H][C@]12CC[C@]([H])(COC1)N2c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@]2([H])CC[C@]1([H])COC2 T5472
COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCO)c3)nc2)c1F T5473
COc1ccc(Cc2ccc(NC(N)=O)cc2)cc1-c1cccc(Cl)c1 T5474
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1 T5475
Ic1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 T5476
COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl T5477
OC(=O)c1ccc(nc1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F T5479
COc1ccc(c(n1)S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O T5481
COc1cc(\C=C\C(=O)NCCn2c(C)cc3ccccc23)cc(OC)c1OC T5482
COCCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12 T5483
O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 T5484
Cc1nn(c(O)c1C1OC(=O)c2ccccc12)-c1nc2ccc(Cl)c(Cl)c2[nH]1 T5486
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c[nH]c2ccccc12 T5489
Brc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 T5490
CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1 T5491
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12 T5492
CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1 T5494
Cl.Cl.OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccccc1 T5495
COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 T5496
Cc1nc(C(N2[C@H](CNC(c3c(cco4)c4ccc3)=O)CCCC2)=O)c(-c(cc2)ccc2F)s1 T5498
C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1 T5500
COC1=CC=NC(N(CC2)CCC2(C3=O)CCCN3CC4=CNC5=CC=CC=C54)=N1 T5503
Cc1ccc2C[C@@H](CCc2c1CCC(O)=O)NS(=O)(=O)c1ccc(Cl)cc1 T5505
CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 T5508
Cc1c(nnn1-c1cccnc1F)-c1ccc2cccnc2c1 T5509
O=C(C1=CC=C2N=C3C(CCCO3)=CC2=C1)[C@H]4CC[C@@H](OC)CC4 T5512
COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)C T5513
[H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C T5514
O[C@H](C1=CC=CC=C1Cl)COC(N)=O T5517
CC(=O)N[C@@H](CS)C(N)=O T5518
Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1 T5521
Cc1ccc2N=C3CCC(N3Cc2c1)C(=O)NCCc1ccc(O)cc1 T5522
FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1 T5524
Cc1cc2c(cc1O)[nH]c1ccc3OC(C)(C)C=Cc3c21 T5526
OC1=Cc2cccc3ccc(-c4ccccc4)c(C1=O)c23 T5527
[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1 T5528
CC(C)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1 T5531
COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 T5532
Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+]([O-])=O T5533
O=C(C1CC1)N1CCN(Cn2sc3ccccc3c2=O)CC1 T5534
Fc1cccc(Br)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cccnc1 T5535
CCCn1c(nc2ccc(NCc3ccc(F)cc3)nc12)-c1ccc(Br)cc1 T5536
CN1CCN(CC1)C(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 T5537
COc1cc(OC)cc(\C=C\c2ccc(Cl)cc2)c1 T5541
C\C=C(/C)C(O)=O T5542
CC1(C)CC(=O)CC(C)(C)N1 T5543
OC(=O)c1ccco1 T5544
Cc1occc(=O)c1O T5545
OC[C@H]1O[C@@H](Oc2ccccc2C=O)[C@H](O)[C@@H](O)[C@@H]1O T5546
CC1OC(C)=C(O)C1=O T5547
CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C T5548
Nc1nc(N)nc(N)n1 T5549
CCC(C)(O)C(O)=O T5550
CC(=O)CCC(O)=O T5551
COC(=O)\C=C\c1ccccc1 T5552
COc1cc(OC)cc(OC)c1 T5554
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C T5556
CCCOC(=O)c1ccc(O)cc1 T5557
OC(=O)c1cc(=O)cc(o1)C(O)=O T5558
CC1=C(SCCO1)C(=O)Nc1ccccc1 T5559
Nc1nc(NC2CC2)nc(N)c1C#N T5560
Cl.Cl.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1 T5561
COC(=O)c1cccnc1 T5562
OC(=O)C1CCCCC1 T5563
OC(=O)CC(CC(O)=O)C(O)=O T5564
OC(=O)CCCCCCCCCC(O)=O T5565
CCc1occc(=O)c1O T5566
OC(=O)CCCCCCCCCCCCC(O)=O T5567
N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O T5568
CC(C)C(N)CC(O)=O T5569
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O T5570
Clc1cc(NC(=O)Nc2ccccc2)ccn1 T5571
O=c1[nH]c2ccccc2o1 T5572
[H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C T5574
[H][C@@]1([C@@H](O)C[C@@]2(C)[C@]3([H])C[C@H](O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)[C@@]1(C)CC[C@H](O1)C(C)(C)O T5575
OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O T5578
CSCC=C T5579
[K+].[O-]C(=O)Cc1cccc2ccccc12 T5580
CC(C)=CCNc1ncnc2[nH]cnc12 T5581
C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C T5582
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)COC2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O T5583
Cl.CN(CCc1ccc(Cl)c(Cl)c1)CC(O)COc1ccc(NS(C)(=O)=O)cc1 T5585
Cc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1C T5586
OC(=O)\C=C\C=C/C(O)=O T5588
NCC(=O)N1CCC[C@H]1C(O)=O T5589
COc1ccc(CC(O)=O)cc1 T5590
COc1cc(cc(OC)c1O)C(C)=O T5592
C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O T5593
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O T5594
CN1[C@H]2CC[C@@H]1C[C@H](O)C2 T5595
CC(=O)c1cnccn1 T5596
COc1cc2nc(NC3CC3)nc(NC3CCN(CC3)C(C)C)c2cc1OC T5597
CCCCCCOC(=O)CCCCC T5599
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F T5600
Fc1ccc2c(c1)s[nH]c2=O T5601
[K+].CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C([O-])=O T5602
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C(O)=O T5602L
OC(=O)c1ccccc1C(O)=O T5603
CC(C)CC(O)=O T5609
Oc(ccc1ccccc11)c1N=Nc(cc1)ccc1N=Nc1ccccc1 T5612
CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C T5613
OC(=O)CC(=O)CC(O)=O T5614
CC(=O)OCc1ccccc1 T5615
[O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 T5618
CC1(C)C2CCC(C)(C2)C1O T5620
CC(C)C1CCC(=C)C=C1 T5621
C[C@@H](CO)NC(=O)c1cc(nn(-c2cccc(F)c2)c1=O)-c1ccc(Cl)cc1 T5622
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 T5623
CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1 T5624
CC1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 T5625
CCNc1nc(Cl)nc(NC(C)C)n1 T5626
COc1ccc(cc1)C(c1ccc(OC)cc1)C(Cl)(Cl)Cl T5627
CC(C)(c1ccccc1)c1ccc(O)cc1 T5628
CCc1ccc(O)c(c1)C(C)(C)C T5629
CCCCCCCCCCCCCCCCNNC(=O)c1cccs1 T5631
CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 T5632
CC\C(=C(\c1ccc(OCCNC\C=C\C(=O)N(C)C)cc1)c1ccc2[nH]ncc2c1)c1ccccc1 T5633
Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12 T5634
FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1 T5637
FC(OC(F)(F)F)C(F)(F)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl T5638
CC1N(CCc2ccccc12)c1ssc(=O)c1Cl T5641
CC(C)=CCC\C(C)=C/CO T5645
OC(C=Cc1ccccc1)=O T5646
Cc1ccc2oc(=O)ccc2c1 T5647
Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O T5648
COc1ccc(CC=C)cc1 T5649
c1csc(c1)-c1ccc(s1)-c1cccs1 T5650
O=C(Oc1ccccc1)c1ccccc1 T5651
CC(C)C[C@H](N)CO T5652
CC(=O)OC\C=C\c1ccccc1 T5653
CC(=O)c1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O T5654
O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12 T5656
COc1ccc(C=O)cc1OC T5657
C1C2CC3CC1CC(C2)C3 T5658
O=C1C2CC3CC(C2)CC1C3 T5659
CC(C)C1CCC(C)CC1=O T5660
COc1ccc(C=CC)cc1OC T5661
Oc1cccc2C(=O)CCCc12 T5662
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O T5663
CC(C)=CCC\C(C)=C\CO T5665
CCCCCCCCOC(C)=O T5667
CC(=O)Oc1ccc(\C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1 T5668
O.OC(=O)CC(O)(CC(O)=O)C(O)=O T5669
CC(C)COC(=O)c1ccc(O)cc1 T5670
CC1=CC(=O)CC(C)(C)C1 T5671
Cl.Cl.Nc1ccc(OCCO)c(N)c1 T5672
N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 T5673
CCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1 T5674
CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1 T5676
Cl.NCCNC(=O)c1ccc(Cl)cn1 T5678
COc1cc(\C=C\C(O)=O)ccc1O T5679
[H][C@@]1([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 T5680
CCOC(=O)\C=C\c1ccc(O)c(O)c1 T5681
Oc1ccc2cc[nH]c2c1 T5682
Cl.N[C@H]([C@@H](O)C(O)=O)c1ccccc1 T5683
CCOC(=O)c1ccc(O)c(O)c1 T5684
CCCC(C)C(O)=O T5685
CC(C)OC(=O)c1ccc(O)cc1 T5686
[H][C@@]12CC[C@H]([C@H](C)[C@@]3([H])CC(C)=C(CO)C(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H]2O[C@]22[C@@H](O)C=CC(=O)[C@]12C T5687
[H][C@@]12CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@H]1OC(=O)C2=C T5688
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(C)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C T5689
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)cc2o1 T5690
O[C@]12CO[C@@H]([C@H]1CO[C@@H]2c1ccc2OCOc2c1)c1ccc2OCOc2c1 T5691
OC(=O)c1cc2c([nH]1)-c1c(cc(nc1C(=O)C2=O)C(O)=O)C(O)=O T5692
[Na+].[Na+].OC(=O)c1cc(nc2C(=O)C(=O)c3cc([nH]c3-c12)C([O-])=O)C([O-])=O T5693
[Na+].CC(=O)C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)C2(C)C1=O T5694
COC(=O)CC(=O)OC T5695
COC(=O)CCC(=O)OC T5696
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 T5698
COc1cc(cc(OC)c1OC)C1CC(=NN1C(N)=S)c1ccccc1 T5699
CC(C)=CC[C@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O T5703
CS\C=C\C(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T5704
[H][C@@]12C[C@H](OC(C)=O)[C@]3([H])[C@H]4C[C@@H](C[C@@]3([H])[C@]1([H])C[C@H](OC2=O)c1ccoc1)OC4=O T5706
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccccc1 T5707
[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C T5708
C[C@@H]1CC[C@@H]2CC3=C(C)C(=O)C[C@]13C2(C)C T5709
OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O T5710
[H][C@@]12COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@]1([H])Oc1c2ccc(OC)c1OC T5711
C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1 T5712
COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1 T5714
COc1ccc(cc1)\C=C\C(=O)c1c(O)cc(OC)cc1OC T5715
COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 T5716
CN[C@@H](Cc1c[nH]c2ccccc12)C(O)=O T5718
[H][C@@]12Cc3cc(O)c(OC)cc3-c3c(OC)c(O)cc(CCN1C)c23 T5720
Cl.CN1C2=C3N=c4ccccc4=C3CCN2C(=O)c2ccccc12 T5721
COc(cc1)ccc1C(Oc(c(OC)c1O)c2c(O)c1OC)=CC2=O T5722
CC(C)C1CCC(C)CC1O T5723
[H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCc1occc21)[C@@](O)(CO)C4 T5727
CC(=O)\C=C\c1ccc(O)c(O)c1 T5728
CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O T5729
CC1(C)C2CCC1(C)[C@@H](O)C2 T5734
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@@H](O)C=C2CO T5735
[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C T5737
[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(O)=O)[C@@]1([H])[C@@H](O)C=C2COC(=O)SC T5739
[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CCC(C)CO1)O2 T5740
Oc1cc(O)c2oc(=O)c3c4cc(O)c(O)cc4oc3c2c1 T5742
CC(C)=CCOc1ccc2ccc(=O)oc2c1 T5744
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 T5745
COc1c2ccoc2nc2ccccc12 T5746
COc1cc2occc2c2oc(=O)ccc12 T5747
COc1ccc2cc3-c4cc5OCOc5cc4CCn3c(=O)c2c1OC T5750
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 T5751
COc1cc(O)c(C(=O)\C=C\c2ccc(O)cc2)c(OC)c1 T5753
COC1=CC(=O)OC(C1)\C=C\c1ccccc1 T5754
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1 T5755
[H][C@@]12[C@@H](C)CC(=O)[C@]1(O)C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC T5756
COC(=O)C1=CO[C@@H](O)C2[C@@H](C)[C@@H](O)C[C@H]12 T5757
COc1cc2ccc(=O)oc2c2ccoc12 T5758
CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 T5759
COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c24)C3=CC1=O T5760
CCCCC1OC(=O)C2=CCCCC12 T5763
N[C@@H](CS(=O)CC=C)C(O)=O T5764
COc1cc2CCN[C@H](Cc3ccc(O)cc3)c2cc1O T5766
COc1ccc(cc1O)C(O)=O T5767
[H][C@]12[C@@H](OC(C)=O)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=C(O)C(=O)C[C@]4(C)[C@@]4([H])[C@@H](O)[C@H](O)[C@]1(OC[C@@]234)C(=O)OC T5768
C[N+]1(C)CCC[C@H]1C([O-])=O T5769
[H][C@@]1(OC1(C)C)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1 T5770
COc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OC T5773
CC(C)=CCc1cc2ccc(=O)oc2cc1O T5774
COc1c(OC)c2ccc(=O)oc2c2ccoc12 T5776
OC[C@H]1O[C@@H](Oc2ccc(O)cc2CC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O T5777
COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccccc1 T5778
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccccc1 T5779
[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CCC(=C)[C@@H](C)[C@]21[H] T5781
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O T5784
O=C(CCCCc1ccc2OCOc2c1)N1CCCCC1 T5786
O[C@@H]1CO[C@@H](O[C@@H]2COC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O T5788
O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3COC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O T5789
[H][C@]12C[C@@H](C)[C@]3([H])[C@H](C[C@H](O)[C@@]3(C)[C@@H](OC(C)=O)[C@]1([H])C(=C)C(=O)O2)OC(C)=O T5793
COc1cc2oc(=O)ccc2cc1CC=C(C)C T5795
Cl.CN1CCC=C(C1)C(O)=O T5799
O=C1OC23CC(C=CC2=C1)N1CCCCC31 T5800
C\C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)c2c(OC1(C)C)ccc1ccc(=O)oc21 T5801
OC(C(O)C(O)=O)C(O)=O T5803
Cl.COC(=O)C1=CCCNC1 T5805
Cl.C1Oc2cc3CCN4Cc5c6OCOc6ccc5CC4c3cc2O1 T5807
CC(C)(O)C(O)COc1c2ccoc2cc2oc(=O)ccc12 T5808
Cl.[H][C@@]12N3CC[C@]11C(Nc4ccccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC T5810
Cl.[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2N1C)OC(=O)[C@H](CO)c1ccccc1 T5811
COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 T5813
OC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 T5814
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)ON1C(=O)CCC1=O)c1ccc(Cl)cc1 T5815
Brc1ccc(s1)S(=O)(=O)n1cccn1 T5816
Cl.NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+]([O-])=O)CC1 T5817
COc1c(cc(cc1)CS(=O)(=O)/C=C/c1c(cc(cc1OC)OC)OC)NCC(=O)[O-].[Na+] T5818
Cl.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 T5820
C(CNCc1ccc(cc1)-c1ccccn1)NCc1ccc(cc1)-c1ccccn1 T5821
CCN1C(=S)S\C(=C/c2ccccc2)C1=O T5822
Cl.Cl.N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1 T5825
CC(OC/C1=C\C[C@@H](/C(C)=C/[C@H]2OC(C([C@@H]2[C@H](OC(/C(C)=C/CO)=O)C1)=C)=O)OC(C)=O)=O T5826
COc1ccc(cc1)S(=O)(=O)NCCCC(=O)Nc1ccc(Sc2ccc(N)cc2)cc1 T5827
CNc1nnc(SCc2ccccc2)s1 T5828
CN1CCN(CC1)c1nc(C)nc2c3cc(Cl)ccc3oc12 T5829
COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12 T5830
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1 T5831
Nc1ncc2ncn(CC3(CC3)OCP(O)(O)=O)c2n1 T5832
Cl.C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nc[nH]n1 T5833
CC(C)=CCCC(=C)C=C T5834
COc1cc(\C=C(/C#N)C(O)=O)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F T5835
OS(O)(=O)=O.N[C@@H](CCONC(N)=N)C(O)=O T5838
CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O T5839
CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1 T5840
C[C@H](c1cc(F)c(c2ccccc2)cc1)C(O)=O T5843
[H][C@@](C)(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 T5843L
COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl T5844
CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1 T5845
[Na+].OC(COc1cccc(Cl)c1)\C=C\C1C(O)CC(O)C1C\C=C/CCCC([O-])=O T5847
[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2 T5848
Clc1ccc(cc1)C1CCN(CCCn2c3ccccc3n3cccc3c2=O)CC1 T5849
Nc1nc(N)c(nc1Cl)C(=O)NC(=N)NCc1ccccc1 T5850
CN(CCC1)C1=O T5851
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc([N+]([O-])=O)c4cc3Cn1c2=O T5853
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O T5854
[Cl-].CC[N+](C)(C)c1cccc(O)c1 T5855
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 T5858
COc1ccc(N2C(SCC2=O)c2cccc(Br)c2)c(OC)c1 T5860
COC(=O)c1c[nH]c2ccccc12 T5868
ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O T5872
OC(=O)c1c(O)cccc1O T5873
COc1ccccc1C(O)=O T5874
COc1ccc(\C=C\C(O)=O)cc1 T5875
O.O.O.O.O.[Na+].[Na+].OCC(CO)OP([O-])([O-])=O T5878
ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl T5879
Cl.NOCC(O)=O.NOCC(O)=O T5880
[O-][N+](=O)c1cc(c(Cl)c(c1Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F T5881
OC(=O)C(=O)CBr T5882
CCc1ccc(O)cc1 T5883
OC(=O)c1cc(O)cc(n1)C(O)=O T5884
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O T5885
OC(=O)CCCc1ccccc1 T5886
OC1=Nc2cc(O)ccc2CC1 T5887
COc1ccc(O)c(c1)C(O)=O T5888
OCc1cc(=O)c(O)co1 T5889
OC(=O)c1ccc(O)cc1O T5890
CCCCCCCCCCCCC\C=C\C(O)C(N)CO T5891
Cc1ncccc1O T5901
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N T5912
CC(=O)N1CSCC1C(O)=O T5914
O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O T5915
CN(C(Cc1ccccc1)C(O)=O)C(=O)OCC1c2ccccc2-c2ccccc12 T5916
COc1cccc(O)c1C(O)=O T5917
CC(=O)NCc1ccccc1 T5924
NCc1ccc(Oc2ccccc2)cc1 T5938
[Ca++].Oc1ccc(O)c(c1)S([O-])(=O)=O.Oc1ccc(O)c(c1)S([O-])(=O)=O T5939
CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 T5940
Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 T5941
CCCCCCCCCCCCCCCCCCCCCC(O)=O T5942
COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1 T5943
CC(C)(C)C(O)C(=C/c1ccc(Cl)cc1Cl)\n1cncn1 T5952
Nn1nnc2ccccc12 T5953
O.O.O.C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O.C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O T5954
Cc1cccc2sc3nncn3c12 T5955
CCNC(=O)C1CC(C)CCC1C(C)C T5962
[Na+].CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O T5963
CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)O T5964
[Na+].CCN(CC)C([S-])=S T5965
CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl T5966
CC(O)C(O)=O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 T5967
Cl.NC1CCSC1=O T5968
Cc1ccccc1NC(N)=Nc1ccccc1C T5969
Cl.NC[C@H](N)C(O)=O T5978
OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O T5979
OC(=O)CCC(=O)C(O)=O T5980
OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=O)ccn23)[C@@H]1O T5981
COc1cccc(c1)C(O)=O T5982
c1cnc2c(c1)ccc1cccnc21 T5983
OC(=O)c1c[nH]c2ccccc12 T5984
OCC(O)=O T5985
OC(=O)c1ncccc1O T5986
[K+].[O-]C(=O)c1nc(=O)[nH]c(=O)[nH]1 T5987
COC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)OC T5988
COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1 T5993
CC(C)(C)c1ccc(cc1)S(=O)(=O)\N=C1/C=C(SCC(O)=O)C(=O)c2ccccc12 T5994
O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F T5995
[H][C@]12CC[C@]3([H])[C@]([H])([C@H](O)C(=O)[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 T5A2455
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 T5A2461
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O T5S0018
COc1cc2ccc(=O)oc2c(OC)c1O T5S0045
C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4-c3cc2O1 T5S0053
CN1Cc2c3OCOc3ccc2[C@H]2[C@@H](O)Cc3cc4OCOc4cc3[C@@H]12 T5S0055
[Cl-].C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4-c3cc2O1 T5S0056
C=C[C@@H]1CNC(=S)O1 T5S0092
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C T5S0106
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C=C2OC1=O T5S0167
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@@H]2OC1=O T5S0168
COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 T5S0229
C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O T5S0273
OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(=O)c3ccc(O)cc3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T5S0331
COc1ccc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O T5S0384
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O T5S0506
CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@H]3O T5S0526
C[C@@]1(O)C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H]5O[C@@H]5C4(C)C)[C@](C)(O)[C@@H]2CC[C@@H]1[C@H]3O T5S0527
C[C@H]1CC[C@H]2C(=C)C[C@@]3(O)O[C@@]12CC3=C(C)C T5S0543
Cc1cc(=O)c2c(O)c3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)Oc3cc2o1 T5S0581
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O T5S0620
OC(=O)CC(O)(CC(O)=O)C(O)=O T5S0636
CC[C@@H]1CN2CC[C@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31 T5S0658
CN1C[C@@]2(C=C)[C@@H]3C[C@@H]4OC[C@@H]3[C@@H]1C[C@]21C4=Nc2ccccc12 T5S0661
CN1CC2(C=C)[C@@H]3C[C@H]4OCC3C1C2[C@@]41C(=O)Nc2ccccc12 T5S0662
CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 T5S0669
Oc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1 T5S0689
CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)CC(C)(CCC=C(C)C)CCC12C T5S0691
COc1cc(\C=C\c2ccccc2)oc(=O)c1 T5S0734
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O T5S0754
[Cl-].COc1cc2c[n+](C)c3c(ccc4cc5OCOc5cc34)c2cc1OC T5S0761
[Cl-].COc1cc2C[N+]3(C)CCc4cc(OC)c(O)cc4[C@@H]3Cc2cc1O T5S0777
OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O T5S0788
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC T5S0802
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1O T5S0803
OS([O-])(=O)=O.COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC T5S0814
COc1ccc(CCC(=O)c2ccc(O)cc2)c(OC)c1 T5S0896
C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(C)=C3[C@H]2OC1=O T5S0983
COc1cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O T5S0993
CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 T5S0994
CC(C)=CC[C@H](Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1O)C(C)=C T5S1000
O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O T5S1026
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)C2=O T5S1058
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O T5S1094
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 T5S1177
COc1ccc(C[C@@H]2COc3c(C)c(O)c(C)c(O)c3C2=O)cc1 T5S1261
Cc1c(O)c(C)c2OC[C@@H](Cc3ccc4OCOc4c3)C(=O)c2c1O T5S1262
CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C T5S1285
CC(C)(O)[C@@H]1Cc2c(O1)ccc1ccc(=O)oc21 T5S1286
CCCC=C1OC(C2=C1CCC=C2)=O T5S1287
Oc1ccc(cc1)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O T5S1331
C\C=C(\C)C(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 T5S1408
CC(C)(O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 T5S1413
OCC=Cc1ccccc1 T5S1550
CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 T5S1598
CC(C)=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O T5S1607
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)OC(C)=O T5S1632
COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 T5S1645
CC(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@@H]3CN(C)[C@H]2[C@]13C T5S1708
Oc1cc(O)c2c(c1)occc2=O T5S1805
CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H](C13)[C@]12C[C@@H](C(=C)[C@H]1O)C(=O)C[C@@H]42 T5S1882
COc1cc-2c(C[C@@H]3NCCc4cc(OC)c(O)c-2c34)cc1O T5S1895
Cc1coc2C\C(C)=C\CCC3=C[C@@H](OC3=O)c12 T5S1897
COc1c2OCOc2cc2C[C@H](C)[C@H](C)Cc3cc4OCOc4c(OC)c3-c12 T5S1923
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(OC)c4cc3Cn1c2=O T5S1952
C1Oc2ccc(cc2O1)[C@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc2OCOc2c1 T5S1959
Cc1cc(O)cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 T5S1963
CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1 T5S1981
COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T5S1988
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C T5S2017
CN(CC1)[C@@H](Cc(cc(c(OC)c2)OC)c2-c2c3OC)c2c1cc3OC T5S2059
CCCCC1OC(=O)C2=C1CCC=C2 T5S2073
CCC\C=C1/OC(=O)C2=C1CC[C@H](O)[C@H]2O T5S2076
COc1cc(cc(OC)c1O)C(=O)OCCCCNC(N)=N T5S2102
COc1ccc(cc1OC)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2OCOc2c1 T5S2178
COc1cc2c(cc1O)oc1cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c1c2=O T5S2207
COc1cc(O)c2c(c1)oc1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c2=O T5S2254
C1Oc2ccc(O[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4c3ccc4OCOc4c3)cc2O1 T5S2283
CC(C)=CC[C@@H](OC(C)=O)C1=CC(=O)c2c(O)ccc(O)c2C1=O T5S2343
CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2C1=O T5S2347
CC(C)=CC[C@H](OC(=O)CC(C)(C)OC(C)=O)C1=CC(=O)c2c(O)ccc(O)c2C1=O T5S2350
CN1Cc2c3OCOc3ccc2[C@@]2(C)[C@H](Cc3cc4OCOc4cc3[C@@H]12)OC(C)=O T5S2357
COc1ccc2c(C)c3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC T5S2358
COc1cc2CCN3Cc4c(ccc(OC)c4OC)[C@H](C)[C@@H]3c2cc1OC T5S2360
COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC T5S2361
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 T6000
COc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2cccnc2s1 T60001
COc1ccc2nc(NC(=O)Cc3ccccc3OC)sc2c1 T60005
O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1 T60006
CCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12 T60012
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F T6002
O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2 T60022
Cl.COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC T6004
OC=1C(OC)=CC(=CC1OC)C2=NC(C=3C=CC=CC3)=C(N2)C=4SC=CC4 T60043
C1=CC=C(COC2=CC(C3=CC=C4NN=C(C5=NC6=C(C=CC=C6)N5)C4=C3)=CC=C2)C=C1 T60044
FC(F)(F)C=1C=CC(=CC1)C2=NOC(=N2)CN3CCCC(C3)CN4CCOCC4 T60047
O(S(=O)(=O)O)N1[C@H]2C[N@@](C1=O)[C@H](F)CC2.[Na] T60050
N(/N=C\C1=CC=C(C(C)C)C=C1)=C\2/SC(CC(O)=O)C(=O)N2 T60051
N=1C(=CC(=CC1C)C=2NC=3C=CC(=CC3C2C(C)C)C4CCNCC4)C T60052
ClC1=CC=C(C=C1)CN2C=3C=CC(OC)=CC3C4=C2C(=NCC4)C T60053
N#CC=1C(=CC(OC=2C(=NN(C2C3CC3)CS(=O)(=O)C)C)=CC1C)C T60056
COc1ccc(C(=O)Nc2ccc(cc2)-c2nc3ccccc3[nH]2)c(OC)c1 T60064
OC(=O)CC(NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1 T60071
O=C(NC1=NC(=CS1)C=2N=CC=CC2)C3=CC=C(C=C3)N(=O)=O T60073
O=C(O)C1=CC=C(NC2CC2)C(=C1)N(=O)=O T60074
CC(C)CC(CC(=O)NO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NCCN T6009
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO T6011
O=C1C(C(NC)=O)=C(N)N(CC)C2=NC(C#C[C@@](COC)(C)O)=CC=C21 T6012
COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF T6013
Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C T6015
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 T6017
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 T6020
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O T6021
C1[C@]([C@@H]2[C@H]([C@@H]2S1(=O)=O)C(=O)O)(C(=O)O)N T6022
Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N T6024
Cc1nnc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 T6026
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O T6027
Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O T6028
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O T6030
CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F T6031
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 T6032
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O T6034
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C T6036
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)NCCCCNC(N)=N T6037
Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccccc1 T6038
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C T6040
Cn1cc(c(n1)c1ccc(cc1)OCc1nc2ccccc2cc1)c1ccncc1 T6042
FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1 T6043
CCC(CC)CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C T6048
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 T6049
CNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 T6050
CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 T6051
Cn1cc(C=C2C(=O)Nc3cccnc23)c2ccccc12 T6052
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 T6053
Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 T6055
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 T6056
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 T6057
NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F T6058
C1CCC(NC1)c1cccnc1 T6060
Cl.C1CCC(NC1)c1cccnc1 T6060L
Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO T6061
[H][C@@]12C[C@H](O)C[C@@]1([H])[C@H](O)\C=C\C(=O)O[C@@H](C)CCC\C=C\2 T6062
C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O T6063
NC(=O)C1=NOC(=N1)[C@H](CCCC1CCCCC1)CC(=O)NO T6064
Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 T6065
OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F T6068
Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 T6069
[Na+].COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC([O-])=O)c2)c(OC)c1 T6070
CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1 T6071
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 T6073
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)N2CC(F)(F)C2)n1 T6074
O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1 T6076
Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)C1CC(CN2CCCC2)C1 T6079
Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 T6080
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 T6081
[Na+].COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12 T6082
Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O T6083
Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 T6084
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 T6085
C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O T6086
C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 T6087
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 T6089
COCCOc1ccc2n(cnc2c1)-c1ccc2cccc(N3CCC(N)CC3)c2n1 T6091
CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC T6092
NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 T6093
Cl.NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 T6093L
Cn1cc(cn1)c1cnc2ccc3c(cc(cc3)NS(=O)(=O)N(C)C[C@@H]3COCCO3)c(=O)c2c1 T6094
Cn1cc(cn1)-c1ccc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1 T6095
C1[C@@H](COc2nc(cn12)[N+](=O)[O-])OCc1ccc(cc1)OC(F)(F)F T6096
C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 T6098
CN(C)c1cccc(c1)-c1n(C)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12 T6099
Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 T6100
C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 T6101
CC(C)n1c(C)nc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1 T6103
Cl.CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 T6104
[Cl-].C[N+](C)(C)CCOP(O)(O)=O T6105
c1cnc(cn1)NNC(=O)/C=C\n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F T6106
Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 T6107
CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl T6108
Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 T6110
NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 T6111
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C T6112
Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O T6114
C1Cc2cccc3c2n(C1)cc3[C@H]1[C@@H](C(=O)NC1=O)c1c[nH]c2ccccc12 T6117
c1(nc2c(c(n1)C)C(=O)N[C@H](C2)c1c(cc(cc1)F)c1cccc(n1)OC)N T6118
c1(cc(ccn1)Oc1ccc2nc(sc2c1)N[C@H]1[C@@H](CCCC1)O)C(=O)NC T6119
Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T6120
CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 T6122
FC(F)(F)c1ccc(\C=C\c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1 T6124
C[C@@H](C(=O)N[C@H]1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O T6125
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F T6126
OP(O)(O)=O.CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 T6127
OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 T6130
c1cc(c(cc1I)F)Nc1c(ccnc1)C(=O)NC[C@@H](CO)O T6131
C1CCC(=NNc2nc(cs2)c2ccc(cc2)C#N)C1.Br T6133
Br.Br.NCCCCCNCC12CC3CC(CC(C3)C1)C2 T6134
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O T6135
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl T6136
CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl T6137
COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O T6138
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 T6139
Cl.Cl.Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 T6139L
Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 T6140
Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F T6141
Cl.[H][C@]12COc3ccc(O)cc3[C@]1([H])OCCN2CCC T6142
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 T6143
CS(O)(=O)=O.NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1 T6144
Cl.CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 T6145
Cl.Cl.C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 T6146
O=C1CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 T6147
Cl.CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1 T6148
CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1 T6150
Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F T6151
C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 T6153
N#CC[C@@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 T6156
OC(=O)CCCCC(CCSCc1ccccc1)SCc1ccccc1 T6157
Cl.C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 T6158
Cn1cc(nc1C1CCN(CC1)c1ncnc2[nH]ncc12)-c1ccc(F)c(c1)C(F)(F)F T6159
Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1Cl T6160
Cl.CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO T6161
Cl.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 T6162
CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ccccc1C(O)=O T6163
O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 T6164
CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1 T6166
COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1 T6167
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 T6168
O=C1Nc2ccccc2\C1=C1/Nc2ccccc2C1=O T6169
CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 T6170
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 T6171
S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1 T6172
Cl.CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 T6175
O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 T6176
Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1 T6180
O=C(COc1cccc2c1cc[nH]c2=O)c1ccccc1 T6181
CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O T6182
Clc1ccc(OCC(=O)N[C@H]2CC[C@@H](CC2)NC(=O)COc2ccc(Cl)cc2)cc1 T6183
Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O T6184
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1 T6186
Cn1sc(=O)n(Cc2ccccc2)c1=O T6187
OC(=O)CCC(O)=O.CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 T6188
OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F T6189
Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 T6191
CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=CC=CC=C2C#N)C1=O T6192
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C T6196
CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 T6197
C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 T6198
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 T6199
[Na+].[Na+].CC(C)(C)[N+](\[O-])=C\c1ccc(cc1S([O-])(=O)=O)S([O-])(=O)=O T6201
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 T6202
[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)[C@]12C[C@@]3([H])C[C@]([H])(C[C@](O)(C3)C1)C2 T6203
Cl.[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)[C@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2 T6203L
Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1 T6204
Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 T6205
O=C1NCCc2[nH]c(cc12)-c1ccncc1 T6206
Fc1ccc2c(c1)nc(NNC(=O)c1cnccn1)c1cccn21 T6207
Oc1cc(F)ccc1-c1ccc(\C=C2/SC(=O)NC2=O)o1 T6208
NS(=O)(=O)C#Cc1ccccc1 T6210
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O T6212
Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](CO)O1 T6214
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1 T6215
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 T6216
C\C(O)=C(/C#N)C(=O)Nc1cc(Br)ccc1Br T6217
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO T6218
[Cl-].NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T6220
C1(CC1)CN1[C@@H]2Cc3c4c(O[C@@H]5[C@]4([C@]2(CCC5=C)O)CC1)c(cc3)O.Cl T6221
COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 T6222
CCO.N\C(Sc1ccccc1N)=C(\C#N)/C(/C#N)=C(\N)Sc1ccccc1N T6223
NC(=O)c1ccc(I)c(c1)[N+]([O-])=O T6224
Cl.Nc1ncnc2nc[nH]c12 T6225
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 T6230
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3CN(C3)C3=NCCS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C T6231
Cl.NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 T6232
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 T6233
Cl.Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 T6234
OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 T6236
[Na+].[O-]C(=O)\C=C\c1ccc(Cn2ccnc2)cc1 T6236L
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O T6237
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 T6238
Cl.CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O T6239
COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NCCCCCCN1C(=O)C=CC1=O T6243
C(P(=O)(O)O)O[C@@H](Cn1c(=O)nc(cc1)N)CO T6244
COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O T6251
C(=O)([C@H](CNC(C)C)c1ccc(cc1)Cl)N1CCN(CC1)c1c2c(ncn1)[C@@H](C[C@H]2C)O T6252
Cn1ncnc1[C@@H]1[C@H](N=c2cc(F)cc3C(=O)NNC1=c23)c1ccc(F)cc1 T6253
CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 T6255
Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 T6256
COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 T6257
COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(cc1)-c1nnco1 T6258
C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 T6259
COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 T6260
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC T6261
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 T6266
CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12 T6266L
C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C T6270
Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 T6271
[Na+].[Na+].COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP([O-])([O-])=O T6272
Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C T6273
CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O T6274
CS(O)(=O)=O.COC1=CC(=NC1=Cc1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 T6275
O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 T6276
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 T6278
O.Cl.CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1 T6279
Cl.CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1 T6279L
[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O T6283
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O T6284
CCn1c(nc2c1c(OC[C@H]1CCCNC1)cnc2C#CC(C)(C)O)c1nonc1N T6285
Nc1cc(F)ccc1NC(=O)\C=C\c1cnn(C\C=C\c2ccccc2)c1 T6286
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 T6288
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O T6289
CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2Cl)c1 T6291
Nc1nccc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O T6292
CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)OC T6293
Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 T6295
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 T6299
CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 T6300
CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 T6301
NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12 T6303
Cl.NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12 T6303L
Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1 T6304
CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 T6305
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 T6306
CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(O)=O)O1 T6307
[O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1 T6308
C[C@H](Nc1nc(Nc2cc(C)[nH]n2)c(F)cc1C#N)c1ccc(F)cc1 T6309
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N T6312
COc1ccc2n(CCCN(C)C)cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 T6313
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 T6315
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C T6316
Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 T6318
COc1cccc2cc([nH]c12)-c1nc([C@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12 T6319
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O T6320
[C@@H]1([C@H](CN(CC1)C(=O)CC#N)N(c1ncnc2[nH]ccc12)C)C T6321
COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 T6322
CN(C)Cc1cccc(N\C(c2ccccc2)=C2/C(=O)Nc3cc(ccc23)C(N)=O)c1 T6324
COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 T6325
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 T6326
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCO T6328
NC(=O)c1cccc(N)c1 T6329
NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 T6332
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)=O T6335
CN(C)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23 T6336
Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1 T6337
CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 T6339
O.O.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O T6340
C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O T6340L
Cl.NCC=C.ClCC1CO1 T6344
O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1 T6345
COC(=O)CCSCc1ccc(cc1)-c1onc(C)c1NC(=O)OC(C)c1ccccc1Cl T6347
N[C@@H]1CN(CC11CC1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F T6349L
Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 T6350
OC(=O)\C=C/C(O)=O.C[C@@]12N[C@@H](Cc3ccccc13)c1ccccc21 T6352
OC(=O)C(O)=O.Brc1ccc(cc1)[C@H]1CN2CCSC2=N1 T6353
CC(=O)C1=C(O)[C@]2(C)C(Oc3c2c(O)c(C)c(O)c3C(C)=O)=CC1=O T6354
NC[C@H](CC(O)=O)c1ccc(Cl)cc1 T6355
Cl.NCc1c[nH]c(=S)n1[C@@H]1CCc2c(F)cc(F)cc2C1 T6356
C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl T6357
Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1 T6358
CCCCCCCCCCCCCCCCO T6359
Cl.Nc1nccc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O T6360
OC(=O)CCCc1c[nH]c2ccccc12 T6361
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1 T6362
Cc1cc(=O)oc2c(C=O)c(O)ccc12 T6363
CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C T6364
OC(=O)\C=C\C(O)=O.CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C T6364L
OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 T6365
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1 T6366
C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O T6368
OS(O)(=O)=O.Nc1ncnc2[nH]cnc12.Nc1ncnc2[nH]cnc12 T6369
Cl.NCCc1ccc(cc1)S(F)(=O)=O T6370
Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 T6371
CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1 T6372
O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O T6373
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C T6374
COc1cc(CC=C)cc(C(=O)NCCO)c1O T6375
[Na+].O=c1[nH]cnc2[nH]ncc12 T6376
C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C=C1[C@H]3NCCC1 T6377
CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 T6379
O.O.O.NCCCNCCSP(O)(O)=O T6381
O.[*].[H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](NC(=O)[C@@H](O)CCN)[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O T6383
[Na+].CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C([O-])=O T6385
[Na+].CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C([O-])=O T6386
CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc1ccccn1 T6387
CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O T6389
Cl.Clc1ccc2NC3=NC(=O)CN3Cc2c1Cl T6390
COc1cc(ccc1O)C(C)=O T6391
CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 T6392
FC1(F)Oc2ccc(\C=C3/SC(=O)NC3=O)cc2O1 T6394
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1 T6398
CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 T6399
Cl.N[C@@H]1CCCCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1 T6406
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O T6407
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 T6408
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C T6410
[H][C@]12[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O T6411
Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O T6412
CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(O)=O T6413
CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1 T6414
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCOCC3)c2c1 T6417
COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 T6418
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 T6419
Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)N1CCCCS1(=O)=O T6420
ONC(=O)c1cccc(c1)C(=O)NCCc1ccccc1 T6421
O[C@H]([C@@H](O)C(O)=O)C(O)=O.Brc1c(NC2=NCCN2)ccc2nccnc12 T6422
Cl.Cl.OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 T6423
[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1 T6424
CC1COC2(CCN(CC2)c2nc(=O)c3cc(cc([N+]([O-])=O)c3s2)C(F)(F)F)O1 T6425
Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1 T6427
Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O T6429
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C T6430
O.CC(CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1/CC(O)CCC1=C T6430L
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O T6432
Fc1ccc(cc1)-c1ccc(\C=C2\SC(=O)NC2=O)o1 T6433
Cc1ccc(cc1)-n1sc(=O)n(Cc2ccc(F)cc2)c1=O T6434
CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 T6435
N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 T6436
[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1 T6439
Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12 T6440
NC(=O)CCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 T6442
Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl T6443
O.CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O T6444
COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N T6445
Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O T6446
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O T6447
Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O T6448
CCC(C)(Oc1ccc(cc1)C1(CCCCC1)c1ccc(OC(C)(CC)C(O)=O)cc1)C(O)=O T6450
[Na+].[Na+].OP([O-])(=O)C(Cl)(Cl)P(O)([O-])=O T6451
[C-]#[O+].[C-]#[O+].[C-]#[O+].NCC(=O)O[Ru]Cl T6454
CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 T6455
OC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1 T6456
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1 T6457
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 T6458
Cl.NCCS T6460
Cl.CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1 T6461
Oc1ccc(OC2CCCCO2)cc1 T6463
Cl.Cc1cccc(Cc2c[nH]cn2)c1C T6464
Cl.C[C@H](c1c[nH]cn1)c1cccc(C)c1C T6466
Cl.C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 T6467
N[C@H](CCC(N)=O)C(O)=O T6468
NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O T6469
[K+].[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl T6470
[Na+].Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O)-c1c(Cl)cccc1Cl T6471
[Na+].CCCC(CCC)C(O)=O.CCCC(CCC)C([O-])=O T6474
Cl.C[N+](C)(C)CC(O)CC([O-])=O T6475
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 T6476
Cl.COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC T6478
CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O T6480
Cc1cc(Cl)ccc1OCCCC(=O)NO T6481
[Na+].Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C([O-])=O)cc2)c1 T6482
CCC(CC)n1ccc2c(cc(cc12)C#N)C(=O)NCc1c(C)cc(C)[nH]c1=O T6484
CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O T6485
OC(=O)/C=C\C(=O)O.N1(C(=O)[C@@H](N[C@H](C(=O)OCC)CCc2ccccc2)C)[C@H](C(=O)O)CCC1 T6486
Cl.NC1=NCC2N1c1ccccc1Cc1ccccc21 T6488
C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\c1csc(C)n1 T6490
Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1 T6491
OC(=O)C(O)=O.CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 T6493
OC(=O)C(O)=O.CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 T6493L
COc1cccc2\C=N\CC\N=C\c3cccc(OC)c3O[Mn](Cl)Oc12 T6495
Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1 T6496
CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1 T6500
Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O T6501
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C T6502
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C T6503
OC(=O)\C=C/C(O)=O.CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N T6504
Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O T6506
Cl.NCC1(CC(O)=O)CCCCC1 T6507
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12 T6509
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1 T6510
Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 T6511
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 T6513
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N T6514
Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12 T6515
[H][C@@]12CC=C[C@]1([H])c1cc(F)cc(F)c1NC2c1cccnc1 T6516
CN(C)Cc1c[nH]c2ccccc12 T6519
Cc1ncc(Cl)cc1NCc1ccc(s1)C(=O)N[C@@H](CC1CCCC1)C(=O)NC1CC1 T6521
CC(O)=O.NC(=N)N\N=C\c1c(Cl)cccc1Cl T6522
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=N)[nH]c2=O T6523
Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F T6524
Cl.Cl.Cl.Cc1ccc(CN2CCNCC2)cc1NC(=O)CNc1ccc(F)c(F)c1 T6526
FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 T6527
CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl T6529
CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 T6530
CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 T6533
Cl.Cl.NCCc1cnc[nH]1 T6534
OP(O)(O)=O.OP(O)(O)=O.NCCc1c[nH]cn1 T6535
Cc1cc(C)n(c1)S(=O)(=O)c1c(C)cc(C)cc1C T6536
CC1(C)C=C(CN2C\C(=C/c3ccc(F)cc3)C(=O)\C(C2)=C\c2ccc(F)cc2)C(C)(C)N1O T6537
CCC(N)c1ccc(cc1C)N(C)C T6538
O.[NaH].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O T6539
NCCCC[C@H](N)C(O)=O.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O T6540
Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H](CN(C)C1=O)C(O)=O T6542
Cn1cc(C[C@@H](N)C(O)=O)c2ccccc12 T6543
OC[C@H]1O[C@@](CO)(OC[C@@]2(O[C@H]3O[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O T6544
OC(=O)c1ccc(O)c2ncccc12 T6545
Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 T6546
[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 T6547
Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl T6548
O[N+]([O-])=O.Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 T6550
O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 T6551
CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O T6552
Cl.CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 T6553
CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 T6553L
Oc1cc(Cl)c(I)cc1NCC(=O)N1CCN(CC1)C(=O)C=C T6555
O.C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O T6559
CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1 T6561
Cl.Cl.CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1 T6562
COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1 T6563
CC(C)C[C@H](NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C=O T6564L
Cl.CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 T6565
Cl.CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C T6566
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T6567
CC(C)(C1)Cn(c(CC(O)=O)c2-c(cc3)ccc3Cl)c1c2-c1ccccc1 T6568
N[C@@H](Cn1ccc(=O)c(O)c1)C(O)=O T6569
COC1=C(C)C(=O)c2ccnc(CNC(=O)C(C)=O)c2C1=O T6569L
Cl.COC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O T6570
Cl.C[C@H]1CNCCc2ccc(Cl)cc12 T6572
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O T6573
Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 T6574
CN1CCN(CC1)C(=O)COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl T6575
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1 T6576
C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 T6578
Cl.CC(c1c[nH]cn1)c1cccc(C)c1C T6579
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO T6580
CN1C(CCl)Nc2cc(Cl)c(cc2S1(=O)=O)S(N)(=O)=O T6581
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O T6583
CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 T6584
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 T6588
CCN1C[C@H](C)n2c(c(O)c3c2c(nn(Cc2ccc(F)c(Cl)c2)c3=O)C(=O)NC)C1=O T6589
Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12 T6591
Cl.COc1ccc(CNCc2cccc3ccccc23)cc1 T6592
CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1 T6593
[O-][N+](=O)\C=C\c1ccc2OCOc2c1 T6594
O.Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O T6596
Cc1cccc(n1)C#Cc1ccccc1 T6598
CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T6599
Cl.Cl.COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 T6600
Cl.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 T6602
COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O T6603
Cl.NCc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 T6604
CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1 T6606
CCN(Cc1ccc(Cl)nc1)C(\NC)=C\[N+]([O-])=O T6607
CN[C@H](CC(=O)O)C(=O)O T6608
CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O T6609
CN1CCN(CC1)c1ccc([N+]([O-])=O)c2no[n+]([O-])c12 T6610
Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)[N+]([O-])=O T6611
Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 T6612
Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C T6615
Cl.CN1C2=CC=CC=C2C2=C1CCC(CN1C=CN=C1C)C2=O T6616
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccnc1 T6617
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(c1ccccc1)c1ccccc1C T6618
Cl.COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCO T6619
OCCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1 T6620
O.[Na+].Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O)-c1ccccc1 T6622
CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1 T6623
O.O.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O T6624
Cl.OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 T6625
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1 T6626
CCOC(=O)c1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)[N+]([O-])=O)C1=O T6629
O.O.Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O T6630
O.O.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 T6631
CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O T6632
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 T6633
COc1ccc(OC)c(c1)C1c2c(OC(N)=C1C#N)[nH]nc2-c1ccc2ccccc2c1 T6634
CCc1c(C)c(O)ccc1C(=O)NNC(=O)C(O)c1cc(F)cc(F)c1 T6635
CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 T6637
Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N T6639
OC[C@H](O)[C@H](O)[C@H](O)CO T6640
C1CC1C(C1CC1)NC1=NCCO1.OP(=O)(O)O T6641
CC(N)C12CC3CC(CC(C3)C1)C2 T6642
COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 T6644
O.Cl.CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C T6645
Cl.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 T6646
CCCN(CCc1cccs1)[C@H]1CCc2c(C1)cccc2O T6647
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC T6648
COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1 T6649
CS(O)(=O)=O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O T6651
C[C@H](NCC1=CC=C(OCC2=CC=CC(F)=C2)C=C1)C(N)=O T6651L
Cl.CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 T6655
Cl.COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 T6656
CNc1cccc(CCOc2ccc3C[C@@H](CC(O)=O)C(=O)N(CC(F)(F)F)Cc3c2)n1 T6657
CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 T6658
Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl T6659
FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br T6660
CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21 T6662
Cl.CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21 T6663
COc1nc(-c2ccc3OCOc3c2)n(n1)-c1ccc(NC(=O)CSc2ccccc2)cc1 T6664
NCC=C.OC(O)=O.ClCC1CO1 T6666
CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 T6667
COc1cc(ccc1O)C1Oc2ccc(cc2OC1CO)C1Oc2cc(O)cc(O)c2C(=O)C1O T6670
CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 T6671
[Na+].Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl T6672
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 T6673
[Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] T6674
[Na+].[Na+].[O-]S(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS([O-])(=O)=O)cc1)c1ccccn1 T6675
O=C1CCc2c(O1)ccc1ccccc21 T6678
[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 T6680
Oc1ccc2ccccc2c1\C=N\S(=O)(=O)c1cccs1 T6681
Cc1oc(nc1CS(=O)(=O)c1ccc(C)cc1)-c1ccc(cc1)C(=O)NCc1cccnc1 T6682
Cc1cccc(Nc2nc(cs2)-c2ccncc2)c1 T6683
O.O.[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C T6684
[Na+].CC1(C)C(N2C(CC2=O)S1(=O)=O)C([O-])=O T6685
O[N+]([O-])=O.Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 T6686
CC(C(O)=O)c1ccc(cc1)C(=O)c1cccs1 T6687
C(c1ccc(cc1)O)(CNC)O.Cl T6688
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1 T6689
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F T6690
COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1 T6691
COC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1ccc(C)cc1 T6693
CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 T6694
COc1cccc2n(C)c(=O)c(C(=O)N(C)c3ccc(cc3)C(F)(F)F)c(O)c12 T6695
CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1 T6696
Clc1c2C(=O)CC(=O)c2c(Cl)c(Cl)c1Cl T6697
CC1(C)CC(O)CC(C)(C)N1[O] T6699
COc1ccc2[nH]c(nc2n1)S(=O)Cc1ncc(C)c(OC)c1C T6700
O.O.Cl.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 T6701
CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12 T6702
CC(O)C(O)=O.CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12 T6702L
Cl.C1CN=C(N1)C1CCCc2ccccc12 T6703
Nc1nc(N)c2nc(cnc2n1)-c1cccc(O)c1 T6704
Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(Cc1ccccc1)C2 T6705
CC1(S[C@@H]2[C@H](C(N2[C@@H]1C([O-])=O)=O)NC([C@@H](c3cscc3)C([O-])=O)=O)C.[Na+].[Na+] T6706
O.[Br-].[H][C@]12C[C@@H](C[C@]([H])([C@H]3O[C@@H]13)[N+]2(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 T6707
Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O T6708
COc1cc(cc(OC)c1OC)C(=O)NC1CCCNC1 T6710
COc1cc2ncc(nc2cc1OC)-c1ccccc1 T6711
CC(C)(C)c1cc(\C=C(/C#N)C(N)=S)cc(c1O)C(C)(C)C T6712
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C T6713
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 T6714
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O T6716
COc1cc(C=O)ccc1O T6717
COc1cc(CCC(C)=O)ccc1O T6718
C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 T6719
Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 T6720
OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O T6723
CN[C@H]1CN(C[C@@H]1OC)c1ccc2c(n1)n(cc(C(O)=O)c2=O)-c1nccs1 T6724
CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F T6725
COc1cc(NC(=O)c2ccccn2)ccc1Cl T6726
Clc1cccc(NC(=O)c2ccccn2)c1 T6727
CN1CCN(CC1)c1nc2ccccc2nc1Cl T6728
C[C@H]1CC[C@@H](CC1)C(=O)N([C@@H]1CC[C@H](O)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C T6729
C(N1CCC(CC1)N1N=CC2=C1N=C(N=C2N1CCOCC1)C1=CC2=C(NC=C2)C=C1)C1=CC=CN=C1 T6730
COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1 T6731
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1 T6733
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Sc3cccc(NC(=O)C=C)c3)n2)cc1 T6734
Cl.Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 T6735
CC(C(O)=O)c1ccc2Sc3ccccc3C(=O)Cc2c1 T6737
CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF T6738
OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O T6739
O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O T6741
OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O T6742
CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 T6743
[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 T6744
Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T6745
Nc1nc(=S)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1 T6746
[Na+].Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Br)nc12 T6747
Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 T6750
[I-].CC(=O)OCC[N+](C)(C)C T6751
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 T6756
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cc2nc1-c1ccccn1 T6757
COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 T6758
Cl.COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC T6760
N.Cl[TeH]1(Cl)(Cl)OCCO1 T6761
CCn1cc(C(O)=O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc12 T6762
Cl.CCC1(Cc2ccccc2C1)c1c[nH]cn1 T6765
CCC1(Cc2ccccc2C1)c1cnc[nH]1 T6766
C[C@H]1CN(C[C@@H](C)N1)c1cc(C)c(cn1)-c1ccc(cc1)-c1nc2n(C)ccc2c(=O)[nH]1 T6768
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 T6770
Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CCNC2)c1 T6771
NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F T6772
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C T6773
CCn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)CCO T6774
Nc1nc(ncc1C1CC1)-c1nn(Cc2ccccc2F)c2ncccc12 T6775
Cl.Cl.COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1 T6776
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O T6777
Cl.N[C@@H](CSCCB(O)O)C(O)=O T6779
NC(=O)c1ccccc1 T6780
NS(=O)(=O)c1ccccc1 T6781
Cl.CCOC(=O)c1ccc(N)cc1 T6782
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 T6783
[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1 T6784
CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 T6785
COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12 T6786
CC(=O)O\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2cc(Br)ccc12 T6787
CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C T6789
CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1 T6790
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O T6794
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O T6795
Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O T6796
NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O T6798
Fc1ccc(Nc2nc(Nc3ccc(cc3)-c3nc4ccccc4[nH]3)nc(n2)N2CCOCC2)cc1 T6799
COc1ccc(cc1)N1C(=S)S\C(=C\c2ccc(s2)[N+]([O-])=O)C1=O T6800
Cn1c2ccccc2c(cc1=O)C(=O)Nc1ccc2OCCOc2c1 T6801
C[N+](C)(C)CCO.O[C@H]([C@@H](O)C([O-])=O)C(O)=O T6805
CC(NC(CCS1)C1=O)=O T6807
Oc1ccc(Cc2nc3c(Cc4ccccc4)[nH]c(cn3c2=O)-c2ccc(O)cc2)cc1 T6808
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12 T6810
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 T6811
Cl.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 T6814
Cc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 T6815
Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1 T6816
COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(C)C=Cc45)C(=O)[C@H]3c2cc1OC T6817
COc1ccc2[nH]cc(C=C3C(=O)Nc4ccc(NC(=O)CCN5CCCCC5)cc34)c2c1 T6818
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] T6819
[Na+].[Na+].O[C@H](CCC([O-])=O)C([O-])=O T6820
CN(C)C(=S)NN=C(c1ccccn1)c1ccccn1 T6821
Oc1cc(O)c(C=NNC(=O)c2cc3ccccc3cc2O)cc1O T6822
CCCCCCCCC\C(=C/C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O T6823
Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 T6824
Cl.CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 T6827
Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O T6828
CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CCl)cc1 T6829
CCOC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)cc(OC)c(C)c1C T6831
Br.CCCc1cc(ccn1)-c1nc(cs1)-c1ccc(C)cc1 T6832
NC(=O)c1nc(F)cnc1O T6833
FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1 T6834
CS(O)(=O)=O.Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 T6835
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl T6837
COc1ccc(\C=C\C(=O)C2(CCCCC2)C(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC T6838
[H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O)[C@@]1(C)O[C@@H]1CC=C(C)C T6841
OCCONC(=O)c1ccc2cncn2c1Nc1ccc(I)cc1F T6843
COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 T6845
CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1 T6846
OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 T6847
Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 T6849
CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O T6852
O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1 T6853
COc1cccc(c1)-n1c(=O)[nH]c2cc(Cl)n(-c3ccc(cc3)-c3cccc(OC)c3O)c2c1=O T6854
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)-c1csc(NC(C)=O)n1 T6855
O[C@@H]1CCCN[C@H]1CC(=O)Cn1cnc2cc(Br)c(Cl)cc2c1=O T6856
Cl.CCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc12 T6857
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O T6858
CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1 T6859
Cl.CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12 T6860
CCOC(=O)COc1ccc(C=C2SC(=S)NC2=O)cc1OC T6861
O=C1Nc2ccccc2C1=O T6862
[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O T6863
Cl.Cl.Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 T6865
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1 T6867
[K+].[O-]C(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O T6868
[Na+].N[C@@H](CCC(O)=O)C([O-])=O T6871
CCCCCCCCCCCC(O)=O T6873
OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 T6875
CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1 T6877
Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCOCC1 T6878
CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C T6882
CO[C@@H](C)Cn1c2c(cnc3ccc(cc23)-c2cncc(c2)C(C)(C)O)n(C)c1=O T6883
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C T6885
CCC1C\C(=C/c2cccnc2)C(=O)\C(C1)=C\c1cccnc1 T6886
[Na+].CC(C)(O)c1coc(c1)S(=O)(=O)[N-]C(=O)Nc1c2CCCc2cc2CCCc12 T6887
[Cl-].CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C T6888
FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc5[nH]c(cc5c4)C#N)CC3)ncnc2s1 T6889
Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C1CC(F)(F)C1)-c1ccccc1C(F)(F)F T6891
Cc1ccc(cc1)S(O)(=O)=O.NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 T6892
CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 T6893
CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)\C=C\c1cccc(Cl)c1 T6894
Cc1cccc(Oc2cnc(=O)[nH]c2)c1 T6896
CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1ccc(cc1)C(=O)N1CCCC1 T6898
CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1 T6899
CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN T6900
Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O T6901
O.O.Cl.Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O T6902
CC(C)CCn1c(CN2CCN(CC2)C(=O)C2CC2)nc2n(C)c(=O)n(C)c(=O)c12 T6903
COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)cc1 T6904
[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12 T6908
CN1CCN(CC1)C(=O)\C=C\c1ccc(o1)[N+]([O-])=O T6910
Cc1nc2c(O)cccc2c(=O)[nH]1 T6912
OC(=O)\C=C/C(O)=O.CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 T6914
C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)C(C)O T6915
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3sccc3n2)cc1 T6918
CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 T6920
Nc1ncnc2n([C@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 T6921
Cl.Cl.NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 T6922
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2[C@H](CCc12)NCCO T6923
Cl.CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl T6924
CC(=O)c1cc(c(Sc2cccc(Cl)c2Cl)s1)[N+]([O-])=O T6925
CCCCCCCCCCCCCCCC(=O)NCCO T6926
Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O T6927
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC T6928
[Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC T6929
Cl.CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 T6930
Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 T6932
NC(=O)c1cnc2[nH]ccc2c1N[C@H]1C2CC3CC1C[C@](O)(C3)C2 T6933
CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C T6935
CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)ccc21 T6936
Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 T6937
Fc1cc(ccc1-c1c(sc(N2CCOCC2)c1C#N)-c1ncn[nH]1)C#N T6938
[H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 T6939
Cl.O=C1NCCc2[nH]c(cc12)-c1ccncc1 T6940
CCCc1ccc(OCC(=O)N(Cc2nc(no2)-c2cccnc2)C(C)C)cc1 T6941
NC(=O)c1ccccn1 T6942
COc1cc(cc(OC)c1OC)[C@H]1[C@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 T6943
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC T6944
Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 T6945
COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC T6947
COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl T6950
O.Cl.CCCN[C@H]1CCc2c(C1)sc(N)n2.Cl T6951
Cl.CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)C1CC1)c1ccccc1F T6952
CCCNC(C)C(=O)Nc1ccccc1C T6953
OCC1(CO)N2CCC(CC2)C1=O T6954
Cl.CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1 T6955
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 T6956
O=C([C@@H](NC([C@@H]1CCC(N1)=O)=O)CC2=CN=CN2)N3[C@H](C(N)=O)CCC3.CC(O)=O T6956L
CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)N[C@@H]3CCCC[C@@H]3N T6957
OC(=O)CCC(O)=O.COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12 T6958
Cl.Cl.N[C@@H](Cc1ccc(cc1)[N+]([O-])(CCCl)CCCl)C(O)=O T6961
C#CCN[C@@H]1CCc2ccccc12.CS(=O)(=O)O T6962
c1cc(c(cc1)O[C@@H]([C@@H]1OCCNC1)c1ccccc1)OCC.S(=O)(=O)(C)O T6963
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O T6964
N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O T6966
COS([O-])(=O)=O.Cc1cc2n(C)c3ccc(F)cc3c3[n+](C)c4ccc(F)cc4c(c1)c23 T6967
COC(=O)N(C)c1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12 T6968
[O-][N+](=O)\N=C1\NCCN1Cc1ccc(Cl)nc1 T6969
COc1ccc(Cn2cnc3c4nc(=O)n(Cc5ccc(OC)cc5)c4ncnc23)cc1 T6970
CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F T6971
CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12 T6973
Cn1ccnc1.O=C1NS(=O)(=O)c2ccccc12 T6974
CNCC(O)=O T6975
COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 T6976
COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1 T6977
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 T6979
ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 T6980
Cn1cc(ccc1=O)C(O)=O T6981
CN1CCN(CC1)c1ccc(Nc2nc(-c3cccc(CC#N)c3)c3c(C)c[nH]c3n2)cc1F T6982
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 T6984
c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 T6985
CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O T6986
N[C@@H](CCl)C(O)=O T6987
Cl.Oc1cc2CCNCC(c3ccccc3)c2cc1O T6988
O=C(NCCCn1ccnc1)c1cc(on1)-c1ccco1 T6989
O.O.[Na+].[Na+].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N T6991
[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 T6992
CC1CC(=O)c2c(C1)ccc1C(=O)c3c(O)cccc3C(=O)c21 T6995
Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O T6996
CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 T6997
Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](COP(O)(O)=O)OC1=O T6998
Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T6S0033
COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC T6S0052
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1 T6S0071
[H][C@]1(COc2c3occc3c(OC)c3ccc(=O)oc23)OC1(C)C T6S0077
CC(C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 T6S0078
[H][C@@]12OC(=O)[C@@H](C)[C@]1([H])[C@@]1([H])C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@]([H])([C@H]2CC)[C@]13[H] T6S0084
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1 T6S0095
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O T6S0105
[H][C@@]12CC[C@@]3([H])[C@@]([H])(CN4C[C@@H](C)CC[C@@]4([H])[C@@]3(C)O)[C@]1([H])C[C@@]1([H])[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C T6S0107
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O T6S0109
OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O T6S0117
CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O T6S0139
CC1(C)Oc2ccc(cc2C=C1)-c1coc2cc(O)ccc2c1=O T6S0141
Oc1ccc2[C@@H]3Oc4cc5OCOc5cc4[C@@H]3COc2c1 T6S0214
Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 T6S0232
COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O T6S0270
COc1cc2c(cc1O)occ(-c1ccc(O)cc1)c2=O T6S0325
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1 T6S0413
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 T6S0444
Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1 T6S0525
CO\C=C(/[C@H]1C[C@@H]2N(CC[C@@]22C(=O)Nc3ccccc23)C[C@@H]1C=C)C(=O)OC T6S0654
CO\C=C(/[C@H]1C[C@@H]2N(CC[C@]22C(=O)Nc3ccccc23)C[C@@H]1C=C)C(=O)OC T6S0655
CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31 T6S0657
CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31 T6S0659
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1 T6S0721
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 T6S0722
COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(OC)c1 T6S0735
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@]3(C)O[C@H]3[C@@H](O)[C@]12O T6S0743
COc1cc2C[N@+]3(C)CCc4cc(OC)c(O)cc4[C@@H]3Cc2cc1O T6S0781
C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O T6S0840
O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@H]34 T6S1010
CC\C(C)=C\C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@@H](CC(=O)[C@@H]2[C@@H](C)OC(C)=O)C1=C T6S1027
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O T6S1101
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1 T6S1256
CCC\C=C1OC(=O)C2=C/1CC[C@H]1[C@@H]3CC[C@]4([C@@H]21)C(=C3)C(=O)O\C4=C/CCC T6S1292
CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O T6S1302
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1 T6S1315
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 T6S1369
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 T6S1371
COc1ccc(cc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC T6S1373
C\C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)c2c(OC1(C)C)ccc1ccc(=O)oc21 T6S1418
C\C=C(/C)C(=O)OC1C(OC(=O)C(\C)=C\C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 T6S1423
CC(C)=CC(O)C\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 T6S1435
C[C@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O T6S1440
O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O T6S1537
O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)C(O)=O T6S1538
COc1cc(\C=C\C)cc2C(C)C(Oc12)c1ccc(O)c(OC)c1 T6S1543
COc1c(O)cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c1O T6S1559
C[C@@H]1C[C@@H]2[C@H]3[C@@H]([C@H]1C)c1cc4OCOc4cc1O[C@]31OCOC1=CC2=O T6S1572
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3C=C[C@](O)(CO)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O T6S1579
C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(COC(=O)c1ccccc1)C(=O)O2 T6S1653
COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 T6S1657
COc1cc(cc(OC)c1OC)-c1coc2cc3OCOc3c(OC)c2c1=O T6S1665
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1O T6S1683
CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 T6S1684
Oc1ccc(/C=C/C(CC(/C=C/c(cc2)ccc2O)=O)=O)cc1 T6S1688
CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 T6S1699
C[C@@H]1CCC=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@@]12C T6S1740
OC[C@]1(O)COc2cc(O)ccc2-c2cc(O)c(O)cc2C1 T6S1780
Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1 T6S1784
Cc1coc2C\C(C)=C\CC[C@]34O[C@H]3[C@@H](OC4=O)c12 T6S1894
COc1cc2C[C@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC T6S1917
COc1cc2C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c3-c2c(O)c1OC T6S1930
COc1cccc(OC)c1C(=O)OCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T6S1966
C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)\C=C\c1ccccc1 T6S2023
C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 T6S2024
CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 T6S2025
C[C@@H]1C(=O)O[C@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O T6S2115
CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O T6S2116
CCCCCCCCCCCCCc1cccc(O)c1C(O)=O T6S2122
CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O T6S2123
COc1ccc(cc1)-c1oc2c3CCC(C)(C)Oc3cc(O)c2c(=O)c1O T6S2140
CC(=O)OC\C1=C/C[C@H](OC(C)=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO T6S2238
CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1 T6S2247
OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O T6S2252
CN1Cc2c3OCOc3ccc2[C@@]2(C)[C@@H](O)Cc3cc4OCOc4cc3[C@@H]12 T6S2356
OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O T6S2391
Cl.Cc1ccsc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1sccc1C T7000
Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O T7001
Cl.OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1 T7002
CS(O)(=O)=O.CS(O)(=O)=O.CN(C)c1ccc2Nc3ccc(cc3Sc2c1)N(C)C T7003
Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T7004
CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 T7005
O=C(C1=CC(C2=CC(NC(C)C)=NC=C2Cl)=CN1)N[C@@H](C3=CC=CC(Cl)=C3)CO.[H]Cl T7005L
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 T7007
OC(C1CCCCN1)c1cc(nc2ccccc12)-c1ccc(Cl)cc1 T7008
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F T7011
[H-].O.O.O.O.Oc1cccnc1C(=O)O[V+]1(=O)OC(=O)c2ncccc2O1 T7012
CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 T7013
CCn1c2nc(N)nc(C)c2cc(-c2cc[nH]n2)c1=O T7014
CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccnc(Cl)c2)n1 T7015
[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 T7016
CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cn1)-c1nnc(o1)C(F)(F)F T7017
Oc1cccc(c1)C(=O)Oc1cccc(F)c1OC(=O)c1cccc(O)c1 T7018
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CF T7020
Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 T7021
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O T7027
COc1c(\C=C\C(=O)c2ccc(O)cc2)ccc(O)c1CC=C(C)C T7028
COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O T7029
OC(=O)c1cc2OCOc2c2c3ccccc3cc([N+]([O-])=O)c12 T7031
COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 T7032
CC(C)c1cc2[C@H](O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2c(O)c1O T7033
IC12CC3CC(CC(C3)C1)C2 T7034
OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 T7035
Oc1ccc(cc1)C(=O)c1ccccc1O T7036
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 T7037
Cc1cc(=O)oc2cc3OCOc3cc12 T7038
COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC T7041
Oc1cccc2c(O)nccc12 T7042
NC[C@H](O)c1ccc(O)c(O)c1 T7044
Clc1cccc(Cl)c1NC1=NCCN1 T7045
Cc1cccc(C)c1NC1=NCCCS1 T7046
O=C1C=CC(=O)c2ccccc12 T7048
COc1ccc2ccc(=O)oc2c1 T7049
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O T7050
COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccccc1 T7051
Oc1cc(O)cc(\C=C\c2c(O)cccc2O)c1 T7052
O=C(O)C=CC1=CC=C(O)C=C1 T7053
O[C@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)C(O)=O T7054
COC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 T7055
NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 T7058
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 T7059
NC12CC3CC(CC(C3)C1)C2 T7060
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 T7061
CCCC(CCC)C(O)=O T7064
Clc1ccc2nsnc2c1NC1=NCCN1 T7065
[Na+].[Na+].[O-]P([O-])(=O)OCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1 T7066
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(OCC)=O T7068
OC(=O)\C=C/C(O)=O.CN1CC(c2ccccc2)c2cccc(N)c2C1 T7070
ClC1=CC(=O)c2ccccc2C1=O T7075
CCCCSC1=C(SCCCC)C(=O)c2ccccc2C1=O T7077
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O T7078
FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 T7080
Clc1cccc(NN=C(C#N)C#N)c1 T7081
COc1ccc(\C=C\C(=O)NO)c(c1)-c1ccc(cc1)-c1ccccc1 T7082
CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n3)c2C(N)=O)C(C)(C)O1 T7083
Oc1ccc(cc1)C(=O)CBr T7084
CN3Cc4c1ccccc1n(Cc2ccccc2)c4CC3 T7085
Cl.OC(=O)CCP(CCC(O)=O)CCC(O)=O T7087
Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1 T7088
C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 T7089
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T7091
CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 T7094
CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O T7095
C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]22OC(=O)C=C[C@H](O)CCC[C@@H](C)C\C=C\[C@H]2[C@H](O)C1=C T7097
OC(=O)CN(CC(O)=O)c1ccccc1OCCOc1ccccc1N(CC(O)=O)CC(O)=O T7098
CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=O)OC\C=C(/C)CCC=C(C)C T7099
COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1 T7100
OC(=O)C(=C\c1ccc(O)c(O)c1)\C#N T7101
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 T7102
FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 T7103
CC(O)C(O)=O.CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O T7104
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O T7106
CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 T7108
Cc1cc(cc(C)c1N)-c1cc(C)c(NCCCS(O)(=O)=O)c(C)c1 T7109
CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 T7113
[H][C@]12CC(=O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 T7114
CC1=NNC(=O)N(C1)\N=C\c1cccnc1 T7115
[Na+].CC(C)c1ccc(C)c2c(cc(C)c2c1)S([O-])(=O)=O T7116
Cl.Cl.C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 T7117
CCN(CC)CC(C)(C)COC(=O)c1ccc(N)cc1 T7118
Cl.Cl.Cl.Cl.Nc1cc(N)c(N)cc1N T7119
Nc1ccc(cc1)S(=O)(=O)Nc1cncc(Cl)n1 T7121
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 T7122
CN\C(NCC1CCOC1)=N\[N+]([O-])=O T7124
CCCCc1ccc(O)cc1O T7125
CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12 T7126
CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 T7127
CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 T7128
COc1c(NS(=O)(c2ccc(NC(C=Cc3sc([N+]([O-])=O)cc3)=O)cc2)=O)nccn1 T7129
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 T7130
O=C(Cc1ccccc1)N[C@H]1CCC(=O)NC1=O T7131
CC(O)(C(Cc1ccc(Cl)cc1)n1cncn1)c1ccccc1 T7132
Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N T7133
CC(C)n1c(=O)cc(NC(C)c2ccccc2)[nH]c1=O T7134
NC(N)=N\C(N)=N\c1ccccc1 T7135
CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC T7136
CC(C)(C)c1cc(nn2cc(nc12)C(=O)N1CCNC(=O)C1(C)C)-c1ccc(F)cc1 T7137
Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)NO)c(Cl)c1 T7138
[Zn++].CC(=O)CC1=C(N2C(SC1)C(NC(=O)CCCC(N)C([O-])=O)C2=O)C([O-])=O T7142
[Cl-].Cc1sc[n+](CC(=O)c2ccccc2)c1C T7143
Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1 T7144
Oc1ccc2ccccc2c1N=Nc1nccs1 T7145
C1CNCCN1.OC(=O)CCCCC(O)=O T7146
[H][C@]12C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CCc1cc(OC)c(OC)cc21 T7147
COc1ccc2n3Cc4cccnc4-c3c(CCNC(=O)c3ccco3)c2n1 T7149
Clc1ccc(NC(=O)Nc2ccc3nnsc3c2)cc1Cl T7150
CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O T7151
C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F T7152
OC(=O)\C=C\C=C\C(O)=O T7154
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12 T7155
COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1 T7156
O=C(CNC(=O)Nc1ccc2ccccc2c1)N1CCCC1 T7157
CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O T7159
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 T7160
Cl.Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O T7162
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12 T7163
Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1 T7165
CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 T7166
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 T7167
Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 T7174
Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1 T7176
Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1 T7177
Oc1nc2cc(C#N)c(cc2nc1O)[N+]([O-])=O T7178
C[C@H]1NCc2cc(ccc12)-c1ccc2c(c1OC(F)F)n(cc(C(O)=O)c2=O)C1CC1 T7179
Cl.CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC T7180
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC T7180L
Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O T7181
Cc1ccc(o1)-c1nc(N)nc2n(Cc3cccc(CO[C@H]4CCOC4)n3)nnc12 T7183
Cl.NCc1ccnc(Cl)c1 T7185
NCc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1 T7186
CNCCn1c2c3cc4OCOc4cc3ncc2c2cc(OC)c(OC)cc2c1=O T7187
CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 T7189
[Cl-].[I+]1c2ccccc2-c2ccccc12 T7191
CCOP(O)(=O)OCC T7192
Cl.Clc1cccc2cc(sc12)C(=O)N[C@@H]1CN2CCC1CC2 T7193
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 T7194
Cl.Cl.CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O T7195
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl T7196
N#Cc1ccc(cc1)C1CCCc2cncn12 T7197
Cl.Cl.Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 T7198
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 T7199
COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12 T7201
COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12 T7202
N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O T7203
Cc1ccc(\C=N\NC(=O)c2ccccc2Oc2ccccc2)o1 T7204
CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1 T7205
NC1=N[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2N1 T7206
[H][C@](CS[C@H]1CCCCC(O)=O)([C@]1([H])N2)NC2=N.Br T7206L
CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1 T7207
COc1ccc(cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)C(C)(C)C T7209
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O T7210
CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 T7212L
Cn1c2cc(sc2c2cnn(Cc3cccc(N)c3)c(=O)c12)S(C)=O T7214
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O T7215
CCC1=C[C@@H]2[C@@H](C[C@]2(CN)CC(O)=O)C1 T7216
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1 T7217
CC(O)=O.FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1 T7219
CCCCCC1C(CC(=O)OCCC)CCC1=O T7220
CC(=O)O[Pt](N)(Cl)(Cl)(NC1CCCCC1)OC(C)=O T7221
Nc1ncnn2c(ccc12)[C@@]1(O[C@H](CO)[C@@H](O)[C@H]1O)C#N T7222
C1CC[C@H](NC1)c1cccnc1 T7224
Nc1ccc(Cl)nc1 T7234
CC(C)c1ccc(cc1)-c1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O T7261
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1cc(nc2[nH]ccc12)-c1cccnc1 T7262
Fc1ccc(Cl)c(COc2cccc3onc(Nc4cccnc4)c23)c1 T7263
CC(N1C2=CC=C(OC)C=C2C(C(NC3=C(F)C=CC(C(OC(C)(C)C)=O)=C3)=O)=C1)=O T7264
Cc1cc(=O)c2c(O)cc(OCC3CS3)cc2o1 T7265
Fc1cnc(F)c(F)c1C(F)(F)F T7272
OCC(=O)N1CCC(CC1)c1n[nH]c(c1-c1ccncn1)-c1ccc(Cl)cc1 T7276
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl T7277
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2c1 T7280
Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1 T7281
CCCCCCCCCCCC(=O)CC(O)S(=O)(=O)[O-].[Na+] T7283
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1 T7292
[H][C@@]12CC[C@@](O)(C(F)(F)C#C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C1CC1 T7293
OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(O)=O T7295
OP(O)(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 T7297
COc1cc(\C=C\C(=O)Nc2ccccc2C(O)=O)ccc1OCC#C T7298
[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] T7299
N[C@@H]1CCCN(C1)c1c(Br)cnc2[nH]cc(NC(=O)C3CC3)c12 T7300
Clc1cn(nc1C(=O)Nc1cn[nH]c1-c1ccccn1)C1CCNCC1 T7301
Cc1cc(ccc1O)-c1ccnc2cc(O)ccc12 T7302
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 T7303
[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+]([O-])=O T7304
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F T7307
CN1CC(c2ccccc2)c2cccc(N)c2C1 T7308
Cl.Cl.CN(C)CCNc1nc2cc(O)ccc2c2-c3ccccc3C(=O)c12 T7309
CCN(C(=O)c1c(O)c2c(CC)cccc2n(C)c1=O)c1ccccc1 T7310
CC(=O)Oc1ccc(cc1)C1(C(=O)Nc2ccccc12)c1ccc(OC(C)=O)cc1 T7311
NC(=O)c1c(NC(=O)C2CC2)sc2CCCCc12 T7312
NC(=O)c1ccc2nc(c(-c3ccccc3)n2n1)-c1ccc(cc1)C1(N)CCC1 T7315
CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl T7316
COc1ccc2c(ccnc2c1)-c1ccc(O)c(C)c1 T7317
C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3cc[nH]n3)c2n1 T7318
C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 T7319
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12 T7320
CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 T7321
[H][C@]12CCN(C)[C@@]1([H])CN(C2)C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OC T7322
Brc1ccc2C(=O)\C(=C\c3ccccc3)C(NC3CCCCC3)c2c1 T7323
Cl.[H][C@]12[C@@H](O)Cc3cc4OCOc4cc3[C@@]1([H])N(C)Cc1c3OCOc3ccc21 T7324
COc1ccc2c(c1)occ(-c1ccccc1)c2=O T7327
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2c(c1)oc1ccccc21 T7329
Cc1onc(c1C(=O)N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O)-c1ccccc1 T7330
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C T7331
CCCCCCC\C=C\C(O)=O T7332
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 T7334
NC[C@H](N)C(O)=O T7335
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1 T7336
OCC1OC(C(O)C1O)n1cnc2c(NCc3ccco3)ncnc12 T7337
Oc1ccc(C(=O)c2ccccc2)c(O)c1 T7338L
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 T7340
COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 T7341
CN1CCN(Cc2cc(-c3ccc(Cl)cc3)n(c2C)-c2ccc(Cl)cc2)CC1 T7342
C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O T7343
N[C@@H](CCC\N=C(/NC)NC)C(=O)O T7344
Oc1ccc2c(c1)occc2=O T7345
Cc1cccc(c1)-c1ccnc2c(cnn12)C(N)=O T7347
C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O T7349
COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C T7350
Cn1c(=N)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O T7351
CCCN1CCC(CC1)c1cccc(c1)S(C)(=O)=O T7352
Cl.CCCN1CCC(CC1)c1cccc(c1)S(C)(=O)=O T7352L
Fc1ccccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O T7353
CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O T7354
Oc1c(Cl)cc(Cl)cc1CNc1ccc2nn[nH]c2c1 T7355
O=C1CN(c2ccccc2)S(=O)(=O)N1 T7356
C[C@@H](CN)C(O)=O T7357
[H][C@@]12CC[C@]3(OC(C)(OC)O\C3=C\C(=O)OC)[C@@]1(C)CC[C@]1([H])C3CCC(=O)C=C3CC[C@@]21[H] T7358
CN(C1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 T7359
O=C(O)CN1C2=C(C3=C1C=CC=C3)CC(N(S(=O)(C4=CC=C(F)C=C4)=O)C)CC2 T7359L
CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2n(CCCC(O)=O)ccc12 T7360
CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 T7361
Clc1ccc(Cn2sc(NC(=O)c3ccc(Cl)cc3)nc2=O)cc1 T7362
CC(C)Cc1ccc(cc1)C(C)C(=O)OCc1ccccn1 T7363
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc1ncc(C)s1 T7366
Cc1ccc(cc1-n1ncc(C(=O)c2cccc(c2)C#N)c1N)C(=O)NC1CC1 T7367
N[C@H](CN1CC(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F T7369
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 T7370
Cl.CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12 T7371
CC(C)Oc1ccc(cc1)C(=O)Nc1cccc2ccc(C)nc12 T7373
Oc1ccccc1\C=C\C(=O)\C=C\c1ccccc1O T7374
COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C T7375
CC(C)CC(N)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O T7377
OC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1 T7378
Oc1ccc(c(O)c1O)-c1cc(=O)c2ccccc2o1 T7379
Cl.OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O T7381
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Br)cc1 T7382
ONC(=O)CCCCCCC(=O)N\N=C\c1ccc(cc1)N(c1ccccc1)c1ccccc1 T7385
Cc1ccc(cc1)S([O-])(=O)=O.CC[N+](C)(C)Cc1ccccc1Br T7386
Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 T7389
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 T7390
O=c1[nH]ccc2cc(OC3CCNCC3)ccc12 T7391
COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(CC(O)=O)cc1 T7393
OP(O)(O)=O.Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCCC1 T7394
OC(=O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1 T7395
Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1cc(ncn1)C#N T7397
FC(F)(F)c1ccc(CN2C3=NCCN3C3=C(CN(Cc4ccccc4)CC3)C2=O)cc1 T7398
NS(=O)(=O)c1ccc(NC(=S)N2CCN(C\C=C\c3ccccc3)CC2)cc1 T7399
[O-][N+](=O)C1(CN(C1)C(=O)CBr)[N+]([O-])=O T7400
Cl.C[C@@H](CN)C(O)=O T7401
Oc1cccc(CNc2ncnc3nc[nH]c23)c1 T7402
CCN1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1 T7405
OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1 T7406
OC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1 T7407
C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O T7408
C[n+]1cc(NC(=O)c2cccc(n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12 T7409
Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1 T7410
CC(=C)CSc1nnc2c(n1)[nH]c1ccccc21 T7411
C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 T7413
CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl T7414
COc1ccc(CNC(=O)CCl)cc1OC T7415
COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 T7416
CC(=O)NCC1CN(C(=O)O1)c1ccc(N2CCSCC2)c(F)c1 T7419
COC(=O)CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 T7420
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 T7421
Cc1cc(on1)C(=C\Nc1ccc(Cl)cc1)\C(=O)Nc1ccc(Cl)cc1 T7422
COC(=O)c1cc(Cl)c(O)c(c1)S(=O)(=O)Nc1cc(c(F)cc1F)-c1ccccc1 T7424
Cc1cc(CSc2ccccc2C(=O)NCCNc2ccc(cc2[N+]([O-])=O)C(F)(F)F)on1 T7425
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 T7426
C#Cc1cccc2ccccc12 T7427
CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Oc1cccc(C)c1 T7428
[Cl-].CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1 T7429
Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 T7430
Clc1ccc(Cl)cc1 T7431
COc1ccccc1\C=C\C(=O)c1ccccc1O T7432
Cl.NCCc1ccccc1 T7433
[H][C@]12CCCN1c1ccn3ncc(C(=O)N[C@H](C)CCc4ncc(F)cc24)c3n1 T7435
OC(=O)CCc1cccc(O)c1 T7437
COc1cc(O)cc(OC)c1 T7438
COc1cccc(c1)C(N)=O T7439
ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 T7440
CC(C)c1ccc(C=O)cc1 T7441
CC(C)c1ccc(CO)cc1 T7442
COc1ccc(cc1)C(=O)C=Cc1ccccc1 T7443
CC(=O)c1ccccc1 T7446
Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 T7447
CC(O)[C@H](C)[C@H](N)C(O)=O T7448
O.c1cnc2c(c1)ccc1cccnc21 T7449
CC(=O)C(=O)c1ccccc1 T7450
N#Cc1ncccn1 T7451
COc1ccccc1C=CC=O T7452
O=C(O)/C=C/c1cccc(O)c1 T7453
OC(=O)c1ccc(Br)c(O)c1 T7454
Cl.Nc1ccc(Cl)cc1C(=O)C(F)(F)F T7455
CCCCC(CC)CCC(O)=O T7456
Cc1cn(C2CC(O)C(CO)O2)c(=O)nc1N T7457
OC(=O)CCCCc1ccccc1 T7458
Cc1ccc(nc1)-c1ccc(C)cn1 T7459
OC(=O)C(=C\c1ccc(O)cc1)\C#N T7460
Nc1cc(O)nc(N)n1 T7461
CC(C)(CC(O)=O)CC(O)=O T7464
Cc1ccc(C=C2C3CCC(C)(C2=O)C3(C)C)cc1 T7465
Nc1[nH]c(=O)ncc1Br T7466
[Na+].Oc1ccc2ccccc2c1N=Nc1ccc(cc1)S([O-])(=O)=O T7467
CC1=CC[C@H](CC1)C(C)(C)O T7468
NCCCC(O)(P(O)(O)=O)P(O)(O)=O T7469
Clc1ncnc2[nH]cnc12 T7470
Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1 T7472
Brc1ccc2[nH]ccc2c1 T7473
[O-][N+](=O)c1cccc2cn[nH]c12 T7474
C[S+](CCC(N)C([O-])=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12 T7475
Cc1cc(n[nH]1)C(O)=O T7476
C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 T7477
Fc1ccc(Cn2c(Cl)nc3ccccc23)cc1 T7478
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OCC[C@H]21 T7479
CCCCCCCCCCCO T7480
CCCCCCC(O)C(O)=O T7481
OC(=O)c1cc(O)cc(Cl)c1 T7482
COc1ccc(Br)c(C=O)c1O T7483
CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1 T7485
C[C@@H]1N=C(N)NC(N(C)C)=N1.Cl T7486
Cl.Cl.CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 T7488
Oc1ccccc1NCc1ccccn1 T7490
COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T7491
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 T7492
Cc1cc(C(=O)Nc2cc(Nc3ccc4c(\C=C\c5ccccn5)n[nH]c4c3)ccc2F)n(C)n1 T7493
Nc1nccc(/C=C/c2ccccc2)n1 T7494
Cl.C1CN(CCN1)c1cccc2OCCOc12 T7498
c1cnoc1 T7500
Cl.Cl.CC1CN(CCN1)S(=O)(=O)c1cccc2cnccc12 T7501
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F T7503
CN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O T7504
Clc1cccc(Cl)c1CSc1nnc(s1)-c1cnccn1 T7506
CC(NC(=O)CCC(N)C(O)=O)C(O)=O T7507
Cl.CC(=O)NCCCCN T7508
OCC1OC(C(O)C1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 T7509
CC(C)CC(N)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(O)=O T7510
O=C1NC(Cc2cnc[nH]2)C(=O)N2CCCC12 T7511
Oc1ccc(Cl)cc1Cn1nc(oc1=O)-c1ccc(cc1)C(F)(F)F T7512
CNc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T7514
Cl.Cc1nc(cs1)C#Cc1cccnc1 T7515
Cl.CCN(c1ccccc1)c1cc(=NC)n(C)c(C)n1 T7516
Cc1nnsc1C(=O)Nc1ccc(C)c(Cl)c1 T7517
Cl.CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12 T7519
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 T7520
Cl.Cl.CN1CCN(CC1)c1cc2N(C)c3ccccc3Oc2nn1 T7521
O=C(N[C@H](C(NC)=O)C(C)(C)C)[C@@H]([C@@H](N(C=O)O)C)CCCC1=CC=CC=C1 T7522
NC(=N)N[C@@H](CC(O)=O)C(O)=O T7523
CNC(=S)NCCSCc1[nH]cnc1C T7524
ONC(=O)c1ccc(O)c(O)c1 T7525
FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1 T7526
COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1 T7527
CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CCC=C(C)C T7528
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1 T7529
C1Sc2ccccc2-c2[nH]c3ccccc3c12 T7530
C[C@H]1CCC[C@@H](C)N1CCCC(O)(c1ccccc1)c1ccccn1 T7531
O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1 T7533
C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 T7534
NC(=N)NCCC(O)=O T7535
CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC T7536
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC T7537
[Cl-].CC[N+](CC)(CC)CC T7538
Nc1nc(OCc2ccccc2)c2nc[nH]c2n1 T7539
CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C T7540
COc1ccc(cc1)C(=O)CBr T7541
NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O T7542
Br.Br.NCCSC(N)=N T7543
mixed T7544
NC(=O)c1ccc(N)nc1 T7545
O=S1CCON=C1c1cc2ccccc2s1 T7546
CS(O)(=O)=O.CC(NCc1ccc(OCc2ccccc2F)cc1)C(N)=O T7547
Cn1c(N)nc2n(cnc2c1=O)C1O[C@H](CO)C(O)C1O T7548
CCC(NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 T7549
COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 T7550
Cl.CCC1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(CCNC(C)C)c3Cn1c2=O T7551
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 T7552
CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21.Cl T7553
[H][C@]12COc3ccc(O)cc3[C@]1([H])OCCN2CCC T7553L
Cl.CCN1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1 T7555
Cl.N#Cc1ccc(cc1)C1CCCc2cncn12 T7556
Cl.OC(=O)C1=CCCNC1 T7557
CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O T7558
Cl.CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(N=CN1CCCCCC1)C2=O T7560
Cl.O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 T7561
COc1cc2CCN3CC(CC(C)C)C(O)CC3c2cc1OC T7563
CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1 T7564
CCCCCCCC(O)CC(O)=O T7565
OCCNC(=O)c1cc(cc(c1)C(=O)NCCO)C(=O)NCCO T7568
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 T7569L
Cn1cnc2n(cnc2c1=N)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T7571
CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl T7572
CCCCCCC(C)c1cc(cc(c1OC(=O)\C=C\C)[N+]([O-])=O)[N+]([O-])=O T7574
O=C(N1CCCCC1)c1ccc2OCOc2c1 T7579
O=C(N1CCCCC1)c1ccc2OCCOc2c1 T7580
CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O T7581
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 T7584
CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O T7586
CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O T7590
Cc1oc2nc3CCCCc3c(NC(=O)CN3CCCC3=O)c2c1C T7591
CO\N=C(\C(=O)OC)c1ccccc1CO\N=C(/C)c1cccc(c1)C(F)(F)F T7592
CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)[O-])cc1.[Ca+2] T7593
NCC[C@H](N)C(O)=O T7595
CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(cc1)S(C)(=O)=O T7596
C[C@H](O)[C@H](O)c1cnc2nc(N)nc(O)c2n1 T7597
CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Ca+2] T7598
CCC(=O)N1CCN(CC1)C(=O)c1ccccc1 T7599
[Na+].[Na+].Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP([O-])(=O)OP(O)([O-])=O)C(O)C1O T7606
C[C@@]1([C@H](N(C=CC(N)=N2)C2=O)O[C@H](CO)[C@H]1O)F T7607
C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1 T7609
COc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC T7610
Clc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1 T7612
O=c1[nH]cc(C#C)c(=O)[nH]1 T7614
COc1cccc(n1)N(C)C(=S)Oc1cccc(c1)C(C)(C)C T7618
CCCCCC(=O)Oc1c(Br)cc(Br)cc1Br T7620
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(S)ncnc12 T7621
Br.COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1 T7622
COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1 T7622L
CC(C)(C)N1CCC(CC1)(c1ccccc1)c1ccccc1 T7626
[Cl-].CC(C)(C)[NH+]1CCC(CC1)(c1ccccc1)c1ccccc1 T7626L
CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C T7628
CC(C)CCCC(C)C1CCC2C3CCC4=CC(CCC4(C)C3CCC12C)=NO T7629
COc1cc(cc(C(=O)NCC2CCCN2CC=C)c1OC)S(N)(=O)=O T7632
OC(C(O)=O)c1cccc(O)c1 T7634
CCN1CCCC1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC T7635
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC T7635L
CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O T7636
OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O T7638
CNC(=O)ON=CC(C)(C)S(C)(=O)=O T7640
OCCc1c[nH]c2ccc(O)cc12 T7641
CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1 T7642
Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 T7644
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C T7646
CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O T7647
O=S(=O)(N1CCNCC1)c1cccc2cnccc12 T7648
COc1ccc(C=C(C#N)C#N)cc1 T7649
[Na+].[O-]c1ccc2[n+]([O-])c3ccc(=O)cc3oc2c1 T7650
Oc1ccc2[n+]([O-])c3ccc(=O)cc3oc2c1 T7650L
CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C2CC3CC1CC(C3)(C2)NS(C)(=O)=O T7653
Cl.COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T7654
OCC1OC(C(F)C1O)n1cc(I)c(=O)[nH]c1=O T7655
Cl.COC(=O)CC[C@H](N)C(=O)OC T7658
O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 T7659
NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1 T7660
NC(=O)c1ccc2[nH]ccc2c1 T7661
COc1ccc2cc(CC(O)=O)ccc2c1 T7662
ONC(=O)CCCCCCC(=O)Nc1cccnc1 T7664
Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O T7667
Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl T7669
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F T7670
C1CN=C(C1)c1cccnc1 T7671
Clc1cccc(Cl)c1C(=O)Nc1ccc2[nH]nc(-c3ccc4[nH]ccc4c3)c2c1 T7672
CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N T7677
O=C1c2nc(oc2C(=O)c2ccccc12)-c1ccccc1 T7678
N1C(c2cccn2-c2ccccc12)c1cccnc1 T7679
CC(Oc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)C(O)CO T7681
CN(C)C(=N)NCCC[C@H](N)C(=O)O T7682
OCCNCc1cc(Br)ccc1OCc1ccc(F)c(c1)C(F)(F)F T7685
CC(NC(CCc1ccccc1)C(O)=O)C(=O)N1C2CCCC2CC1C(O)=O T7686
CCCCCCCOc1ccc(O)cc1 T7687
CCCCCCCCCc1ccc(cc1)B(O)O T7688
CCCCCCCCCCCCCCP(O)(O)=O T7689
CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O T7690
Oc1ccc(N=O)c2cccnc12 T7691
CCOC(=O)c1ccnc(c1)C(=O)OCC T7692
OC(=O)CNC(=O)C(CS)Cc1ccccc1 T7693
N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O T7694
Clc1ccc(cc1)C(=O)N[C@@H]1CN2CCC1CC2 T7695
CCOc1ccc2cc(C#N)c(=O)oc2c1 T7696
COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 T7697
CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 T7698
CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC T7699
CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N T7700
CC(C)(C)OC(=O)NCCOCCOCCO T7701
Cc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(F)cc2)s1 T7703
CCCCCCS(=O)(=O)NC(=O)c1ccc(CSCc2ccc(cc2)-c2ccccc2)cc1 T7704
COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 T7705
CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N T7706
Clc1ccc(CN(C2CCCC2)C(=O)Nc2ccccc2)cc1 T7707
CCCCS(=N)(=O)CCC(N)C(O)=O T7708
CN(C)CCOC1=CC=C(C=C1)C(=C(CCCO)C1=CC=CC=C1)C1=CC=C(O)C=C1 T7709
CCCCC1C(=O)NN(C1=O)c1ccccc1 T7710
[Na+].CCCCC1C(=O)[N-]N(C1=O)c1ccccc1 T7710L
OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)n1ccc(=O)[nH]c1=O T7711
O=C(OCc1ccccc1)c1cccnc1 T7713
CCOC(=O)C(CCc1ccccc1)NC1CSC(CN(CC(O)=O)C1=O)c1cccs1 T7714
CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC T7715
OC(=O)[C@@H]1Cc2c(CN1)[nH]c1ccccc21 T7716
[Na+].CC(=O)C([O-])=O T7717
Nc1nc(=O)n(cc1F)C1CC(O)C(CO)O1 T7718
C\C(CP(O)(O)=O)=C/C(N)C(O)=O T7720
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C T7721
CC(C)=CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 T7722
COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1 T7724
C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F T7725
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1 T7726
C[Se]C[C@H](N)C(O)=O T7727
OC(=O)\C=C/C(O)=O.CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O T7728
Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCOCC3)c12 T7729
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 T7730
[Na+].Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C([O-])=O)cnc2n1 T7730L
N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T7731
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1 T7733
COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C.O=S(=O)(O)O T7734
[O-][N+](=O)c1cc2cccnc2c2ncccc12 T7735
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T7736
Cl.COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C T7739
Cl.COc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC T7742
Cl.COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 T7745
Cl.Cl.C1CN(CCN1)c1cccc2OCCOc12 T7746
Cl.[Cl-].CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1 T7747
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)C(C)(C)C)c1ccc(cc1)-c1scnc1C T7752
O=C(N(C(CCC1=O)C(N1)=O)C2=O)C(C2=CC=C3)=C3OCC(O)=O T7753
Fc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 T7755
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCN)=O.[H]Cl T7761
Oc1cccc(C(N2C(CCC(N3)=O)C3=O)=O)c1C2=O T7763
FC1(F)CC(CN(C1)C(=O)c1cccc(c1)-c1ccco1)C(=O)Nc1ccc(Cl)cc1 T7764
Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1 T7765
CCOC(=O)COc1ccc(Cl)c2cccnc12 T7774
Cl.Cl.CCN(CC)CCOc1ccc(Cl)c2cccnc12 T7775
CNC(=O)c1cc(cc(c1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(C)c1)C(=O)NC T7777
NCC(=O)N1CCCC1C(=O)NC(CCC(O)=O)C(O)=O T7778
O=C(CC[C@H](NC([C@H]1N(CCC1)C(CN)=O)=O)C(O)=O)O.CC(O)=O T7778L
CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 T7780
O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O T7781
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O)c(=O)[nH]1 T7782
NCCc1ccc(cc1)C(F)(F)F T7783
NC(=O)c1nccnc1O T7785
O=C1c2ccccc2-n2c1nc1ccccc1c2=O T7786
CC(C)(N1CCCCC1)c1ccccc1 T7788
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12 T7789
CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 T7790
O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)C1CCC(=O)NC1=O T7791
Oc1cc(\C=C\c2ccc(O)c(O)c2)oc(=O)c1 T7792
COc1ccc(cc1)-c1ccc(N)nn1 T7793
CC12CCC3C(CCC4CC(C)(O)CCC34)C1CCC2C(=O)Cn1cc(cn1)C#N T7794
CCC(C)(C)C(=O)N(O)Cc1ccccc1 T7795
Cc1noc(C)c1-c1ccc(cc1)C(=O)N1C(CSC1c1ccccc1Cl)C(O)=O T7796
Cc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1 T7797
CCCc1cc(ccn1)-c1nc(cs1)-c1ccc(NS(C)(=O)=O)cc1 T7798
Brc1ccc(CSc2nc3ccccc3o2)cc1 T7799
CC(Nc1ccccc1)=C1C(=O)NC(Cc2ccccc2)C1=O T7800
O=S1(=O)N=C(Nc2ccccc2N2CCCC2)c2ccccc12 T7802
Cl.Oc1noc2CNCCc12 T7803
Cl.Cl.Cc1ccc(CN2CCNCC2)cc1NC(=O)CNc1ccc(F)c(F)c1 T7805
NC(=O)N1c2ccccc2CC(O)c2ccccc12 T7806
OC(=O)COc1nn(Cc2ccccc2)c2ccccc12 T7807
CC(CSC(C)=O)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(O)=O T7808
CC1(NC(=O)c2cc(ccc12)-c1cn[nH]c1)c1ncncc1F T7810
Cl.Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2 T7811
OC(=O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 T7812
O.O=C1NC(=O)C(=O)C(=O)N1 T7814
O=C1NC(=O)C(=O)C(=O)N1 T7814L
NC(=N)N\N=C\c1cccc(Cl)c1Cl T7820
Cl.Cl.CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1 T7821
CC(C)CCC(=O)CC1N(C(=O)c2ccccc12)c1ccc2ccc(Cl)nc2n1 T7822
CC1Nc2ccc(Cl)cc2S(=O)(=O)N1 T7823
O[N+]([O-])=O.Clc1cc(Cl)c2C(c3ccccc3CCc2c1)n1ccnc1 T7824
OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O T7826
CC(=O)N1CCC(CC1)NC(=O)c1ccc(F)cc1 T7829
COc1ccc(cc1)C(\Cl)=C(\C=O)c1ccc(OC)cc1 T7830
CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C(C)=O T7831
CCOP(=O)(Cc1ccc(cc1)C(=O)Nc1ccc(Br)cc1C#N)OCC T7832
Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1C T7833
C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1 T7834
CCCn1c(NCc2cccc(CC=C)c2O)nc2ccccc12 T7835
CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(SC)s1 T7837
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 T7838
CC(=O)OCC1OC(C(OC(C)=O)C1OC(C)=O)n1cnc(N)nc1=O T7840
OC(=O)c1cc[nH]n1 T7842
C1CC(CCN1)Oc1ccccc1 T7843
Ic1cc(ncn1)-c1ccccc1 T7844
O=c1nc(sc2ccccc12)-c1ccccn1 T7845
COc1ccc(cc1)C(O)CNC(=O)\C=C\c1ccccc1 T7846
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)C(O)c12 T7848
NCCCNCCCNCCCN T7849
Cc1cccc(c1)C(Cl)=O T7850
Cl.NCCc1ccc(O)cc1 T7851
ClN=C1C=C(Cl)C(=O)C(Cl)=C1 T7852
C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1 T7853
COc1cccc(CCN)c1 T7855
Oc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 T7856
[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(Nc2ccccc2)cc1 T7857
[Na+].[O-]C(=O)C1=C(CSc2nncs2)CSC2C(NC(=O)Cn3cnnn3)C(=O)N12 T7858
CC(=C)c1cccc(c1)C(C)(C)N=C=O T7859
CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OC)c3)c2n1 T7860
Cn1ccc(n1)-c1cncc(CNc2cc(ccc2F)C(=O)Nc2cccc(OC(F)(F)F)c2)c1 T7862
CC(=O)NCCCCCCNC(C)=O T7863
CC(C)OC(=O)Nc1cccc(Cl)c1 T7864
CN1CC2CC1CN2c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T7865
CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1 T7866
OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F T7867
CC(C)=CCC/C(C)=C/CC/C(C)=C/CO T7868
OCNC(=O)c1cccnc1 T7869
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1 T7870
O.O.O.O.O=C([O-])C(O)C(O)C(O)C(O)C(=O)[O-].[Ca+2] T7871
CCCCCCCCCCCC(=O)OCC(O)CO T7872
CSCCCN=C=S T7873
OC(=O)CCC(O)=O.CCc1nc(C)ccc1O T7875
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)CN1CCN(CC)CC1 T7876
CC(=O)Nc1ccc(\C=N\NC(N)=S)cc1 T7877
COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1 T7878
CC(=O)Nc1nc(C)c(s1)-c1nc(no1)N1CCCC(O)C1 T7879
CC(C)(C)OC(=O)c1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O T7880
Oc1ccc(Cl)cc1NC(=O)Nc1cc(ccc1Cl)C(F)(F)F T7884
Cl.Cn1ncc(Cl)c1-c1cc(sc1Cl)C(=O)NC(CN)Cc1cccc(F)c1 T7885
Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(O)=O)c2COc3ccc(Cl)cc3-c12 T7886
OS(O)(=O)=O.Oc1cccc2cccnc12.Oc1cccc2cccnc12 T7887
COc1ccc2c(ccnc2c1)-c1ccc(CNS(N)(=O)=O)cc1 T7888
Cc1nn(c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1)-c1ccc2nnc(C)n2n1 T7889
FC1(F)CC(C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 T7890
Nc1c2CCCc2nc2CCCCc12 T7891
OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O T7892
OC(=O)CCCN1CCC(CC1)OC(c1ccc(Cl)cc1)c1ccccn1 T7893
CC1(C)CCSc2ccc(cc12)C#Cc1ccc(cn1)C(O)=O T7894
CC(O)=O.CC(O)=O.NCCC(NC(=O)C1CCCN1C(=O)CCN)C(=O)NCc1ccccc1 T7895
Cn1cccc1C=C1C(=O)NC(=O)c2ccccc12 T7896
FC(F)(F)c1cc(NC(=O)Nc2ccc3OC(F)(F)Oc3c2)ccc1Cl T7897
OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 T7898
Cc1cc(NC(=O)Cc2ccc(F)c(Cl)c2)n(n1)C1CCCCC1 T7899
Cc1n[nH]c2ccc(cc12)C1C(C#N)=C(C)NC(C)=C1C#N T7900
CNc1ncc(cc1C)-c1ccc2c(c1C)n(cc(C(O)=O)c2=O)C1CC1 T7902
CCN(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1 T7904
COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC T7905
COc1ccc2c(c1)oc(cc2=O)-c1ccccc1 T7907
[Cl-].C[S+](C)CCC(N)C(O)=O T7908
CC(C)C1=CC=C(C)CC1 T7909
COc1ccc(C=O)cc1 T7910
CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2 T7912
Brc1ccccc1-c1ccccc1 T7913
C1=Cc2cccc3cccc1c23 T7914
CC(=O)Nc1ccc(cc1)S(=O)(=O)N=[N+]=[N-] T7916
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1 T7917
Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl T7918
Nc1ccc(cn1)C(O)=O T7919
CC(C)=CCC\C(C)=C\CCC(C)=O T7920
CC1=C(C=O)C(C)(C)CCC1 T7921
CO\N=C(\C(=O)OC)c1ccccc1COc1ccccc1C T7922
Nc1ncccc1O T7923
Nc1nc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(Br)nc2c(=O)[nH]1 T7924
COC(C(=O)c1ccccc1)c1ccccc1 T7925
CC(=O)C=CC1=C(C)CCCC1(C)C T7927
N[C@@H](CC(=O)OCc1ccccc1)C(O)=O T7929
CC(C)=CCCC(C)(OC(C)=O)C=C T7930
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C T7931
COc1ccccc1OCC1CO1 T7932
C[C@H]1OC(=O)[C@@H](C)OC1=O T7933
Cc1ccc2ccc(=O)oc2c1 T7934
Nc1nc(CC(O)=O)cs1 T7935
OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 T7936
Nc1ccccc1C(=O)c1ccc(F)cc1 T7937
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 T7938
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 T7939
CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN.Cl T7940
Cl.CN(C)CCCN1c2ccccc2CCc2ccccc12 T7941
N[C@@H]1C[C@H]1c1ccccc1.N[C@@H]1C[C@H]1c1ccccc1.O=S(=O)(O)O T7942
CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 T7944
Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 T7945
OP(O)(=O)Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F T7946
OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccc(F)cc2o1 T7947
FC(F)OC1=CC=C2C(N=CC(C(N[C@@H]3CC[C@@H](C(C)(C)O)CC3)=O)=C2)=C1 T7948
CC(C1CC1)n1c(nc(NCCN(C)C)nc2NCc3cccc(C(F)(F)F)c3)c2nc1 T7949
COc1ccc2C(OC(=O)c2c1OC)C1N(C)CCc2cc3OCOc3c(OC)c12 T7952
OC1=CC=C(C(=O)O[K])[N](=C1)[V]123(O[K])OO1.O2O3 T7953
CCc1ccc2c(nc(=O)n(CC)c2n1)-c1cccc(Cl)c1 T7954
CC1(C)[C@@H]2CC[C@@](C)(C2)C1=O T7956
CC(C)c1ccc2sc3ccccc3c(=O)c2c1 T7957
CCCCCCCCCCCCCCCCCCCC(=O)OC T7958
C[C@H]1[C@@H]2C[C@H](C[C@@H]1O)C2(C)C T7959
CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1 T7960
OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(NC(=O)c2ccccc2)nc1=O T7961
OC(=O)c1ccc(=O)oc1 T7962
Oc1ccnc(O)c1 T7963
OCC(O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T7964
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(N)nc1=O T7965
CCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO T7966
CCCCCCCCCCCCCCCCCCCCCC(=O)OC T7967
Cl.OC(=O)c1ccc(OCCn2ccnc2)cc1 T7968
[O-][n+]1ccccc1SSc1cccc[n+]1[O-] T7969
CCOc1ccc2ccc(=O)oc2c1 T7970
Nc1cccc2cccc(c12)S(O)(=O)=O T7971
Oc1cc(C=O)cc(O)c1O T7972
O=Cc1coc2ccccc12 T7973
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] T7974
[H][C@@]12CC[C@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] T7974L
[Cl-].CCN(CC)c1ccc2c(-c3ccccc3C(O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC T7975
[H][C@@]1(OC(=O)C(O)=C1O)[C@H](O)CO T7976
[O-][n+]1onc2ccccc12 T7977
O=C1CCCCCCCCCCCCCC1 T7978
Oc1ccccc1\C=C\C(=O)c1ccccc1 T7979
Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T7981
Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1 T7982
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 T7983
Oc1ccccc1C1CC(=O)c2ccccc2O1 T7984
COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1 T7985
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC T7986
Cc1ccc(N)c(N)c1 T7988
COP(=O)(OC)OC T7989
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1(O)[C@@]2([H])CCC2=CC(=O)CC[C@]12C T7990
OC(=O)\C=C\c1ccccc1O T7991
Oc1ccc(cc1)C1CC(=O)c2ccccc2O1 T7992
CC(=O)c1c(O)ccc2ccc(=O)oc12 T7993
COc1c(oc2ccccc2c1=O)-c1ccccc1 T7994
CC1=CCC(=O)O1 T7995
CCCCCCCCCCCCCCCCCC T7996
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O T7997
NCCCCCCCN T7998
Oc1ccc2C(=O)CC(Oc2c1)c1ccccc1 T7999
CC(C)OC(C(=O)c1ccccc1)c1ccccc1 T8000
Cc1ccc(cc1)C(=O)C=Cc1cccc(c1)[N+]([O-])=O T8001
Oc1cc2ccccc2oc1=O T8002
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)[O-])C(=O)[O-])cc1.[Na+].[Na+] T8003
Cl.COc1ccc(Nc2nccc(NCCO)n2)cc1 T8005
Clc1ccc(Cn2cc(C=O)c3ccccc23)cc1 T8006
COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1 T8007
CCCCCC(C)C(O)=O T8008
C(c1ccco1)n1cccc1 T8009
CCCCOC(=O)CCCCCCCCC(=O)OCCCC T8010
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O T8012
C[C@@H](CCC=C(C)C)CC=O T8013
CC(C)(O)C1CCC(C)(O1)C=C T8014
COc1ccc(C=CC(=O)c2ccccc2)cc1 T8015
CNCc1ccccc1 T8016
CCCCCCCCCC(C)=O T8017
COc1cc(CO)cc(OC)c1O T8018
C\C=C\C=C\C(O)=O T8019
Oc1nc(O)c2ccccc2n1 T8020
C\C(N(Cc1cnc(C)nc1N)C=O)=C(/CCOC(=O)c1ccccc1)SC(=O)c1ccccc1 T8021
COC(=O)c1ccco1 T8022
OC(=O)c1ccc(O)c(O)c1O T8023
N#CCc1c[nH]c2ccccc12 T8024
OC(=O)C(=O)c1ccccc1 T8025
CC(=C)[C@H]1CCC(C)=CC1 T8026
CCC(CC)C(O)=O T8027
CC(C)=CCCC(C)=CCCC(C)=CCOC(C)=O T8028
CN1CCCC1 T8029
CCOC(=O)C(C)=O T8030
OC(=O)c1ccc(cc1)C(O)=O T8031
OC(=O)CCC=C T8032
CSSSC T8034
COc1cccc(c1)-c1oc2ccccc2c(=O)c1O T8035
Cc1ccc2oc(cc(=O)c2c1)-c1ccccc1 T8036
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O T8037
CCOc1ccc2c(C)cc(=O)oc2c1 T8038
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O T8041
CC(=O)c1nccs1 T8042
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C T8043
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O T8047
Cl.N(c1ccccc1)c1ccccc1 T8048
CCCCCCCCCCCCCCC(O)=O T8049
CC1OCCC1=O T8050
Cc1occc1SSc1ccoc1C T8051
CC\C=C(/C)C(O)=O T8052
CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O T8053
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(O)=O T8054
COc1ccccc1\C=C\C(=O)\C=C\c1ccccc1OC T8055
CC(CCOC(C)=O)CCC=C(C)C T8057
CC(CC=C)C(O)=O T8058
CSCC[C@H](NC(C)=O)C(O)=O T8059
Brc1c[nH]c(=O)[nH]c1=O T8060
CC(CCC=C(C)C)CC=O T8061
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O T8064
CCN(CC)CCSCC(O[C@H](C[C@@]1(C)C=C)[C@@](C)([C@@H]2C(CC3)=O)[C@H](C)CC[C@]23[C@@H](C)[C@@H]1O)=O T8065
[NaH].[NaH].CC1(C)S[C@@H]2[C@H](NC(=O)C(c3ccccc3)S(O)(=O)=O)C(=O)N2[C@H]1C(O)=O T8066
CCCCCCCCCCCCCCCCCCC(=O)OC T8067
Cc1ccccc1C(O)=O T8068
CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC T8069
CCCCCCCCCCCCCCCCCCC(O)=O T8070
Cl.NCCCC[C@H](N)C(O)=O T8071
CSC[C@H](N)C(O)=O T8072
[Na+].[Na+].[O-]C(=O)CCC([O-])=O T8073
[Na+].[Na+].[Na+].OC(COP([O-])([O-])=O)C(O)C(O)C(=O)COP(O)([O-])=O T8074
Cn1c2[nH]c(=O)[nH]c2c(=O)n(C)c1=O T8075
CC\C=C/CC1=C(C)CCC1=O T8076
CCCCCC1=C(C)CCC1=O T8077
CCCCCCC1CCC(=O)O1 T8078
CC(=O)OC(C)(C)C1CCC(C)=CC1 T8079
CCCCC(C)C(O)=O T8080
Oc1cc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc(Br)c1O T8081
O.Cc1ncc(COP(O)(O)=O)c(C=O)c1O T8083
COC(=O)c1ccc(O)c(c1)C(=O)OC T8084
OC[C@H]([C@@H](C1)[C@H](C2)OC1=O)[C@@H]2O T8085
CCCCCCCCCC=O T8086
Oc1cccccc1=O T8087
CC(=O)OCc1ccco1 T8088
CCCCC(C)CCC(O)=O T8089
COC(=O)Cc1ccc(cc1)C(C)(C)C T8090
O[C@H]1CC[C@@H](CC1)C(O)=O T8091
OC(=O)CC(Cc1ccccc1)C(O)=O T8093
C[C@@]1(CC2)C(C(C)=O)=CC[C@H]1[C@H](CC1)[C@H]2[C@@](C)(CC2)C1=CC2=O T8094
CC(=O)OC[C@H](N)C(O)=O T8095
CCOC(=O)CCC(=O)OCC T8096
Cl.COC(=O)CCN T8097
CCC1CCC(=O)O1 T8098
CCC\C=C\C=O T8099
OC(=O)C1CCN1 T8100
CC(=O)NCCCC[C@H](N)C(O)=O T8101
NCCCCCCCC(O)=O T8102
NN=CNCCCC[C@H](N)C(O)=O T8103
CC(C)[C@H](NC(=O)CN)C(O)=O T8104
O=Cc1c[nH]c2ccccc12 T8105
COc1ccc(cn1)C(N)=O T8106
CCOC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)sc2CCCc12 T8107
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O T8109
C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)C2=C T8110
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O T8111
OC[C@H]1O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]1O T8112
COc1ccc2oc(=O)cc(C)c2c1 T8113
Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O T8114
CC1CCc2c(C)coc2C1 T8115
c1cc2cccccc2c1 T8116
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C T8117
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O T8118
CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1 T8120
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O T8121
CC(O)=O.NCc1ccc(cc1)S(N)(=O)=O T8122
OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O T8123
[Na+].[O-]C(=O)c1ccccc1 T8124
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1 T8128
[K+].CC([O-])=O T8129
O.Cl.OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O T8130
[Na+].COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 T8133
CC(C)NC(SCC(=O)NC1C2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)=NC(C)C T8134
Nc1nc(cc(=N)n1OS(O)(=O)=O)N1CCCCC1 T8135
Cl.O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 T8136
OC(C/C(/C(O)=O)=C/C(O)=O)=O T8137
COS([O-])(=O)=O.C[n+]1c2ccccc2nc2ccccc12 T8138
[Na+].Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1 T8139
CN1c2ccccc2C(NCCCCCCC(O)=O)c2ccc(Cl)cc2S1(=O)=O T8140
Cl.NC(CS)C(=O)O T8141
Cl.CN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1 T8142
Cl.COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC T8143
O=C(OCc1ccccc1)\C=C\c1ccccc1 T8145
CCC(O)=O.CCC(O)=O.O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1 T8146
O=C(N(CC1)[C@@H](c2ccccc2)c2c1cccc2)O[C@@H]1C(CC2)CCN2C1 T8147
Cl.CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 T8149
OC([C@H](O)C(O)=O)C(O)=O.C[C@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 T8149L
Cn1cc(ccc1=O)C(N)=O T8150
COc1ccc(cc1)-c1cc(=O)c2c(OC)cc(OC)c(OC)c2o1 T8152
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C T8153
Cc1cccc(c1)N1CCN(CCc2ccc3ccccc3n2)CC1 T8157
COc(cc1)ccc1C(Oc1c2c(O)cc(O[C@@H]([C@@H]([C@H]3O)O)O[C@H](CO)[C@H]3O)c1)=CC2=O T8158
CCC\C=C1/OC(=O)C2=C1CC[C@@H](O)[C@H]2O T8159
Nc1nc(=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(N)[nH]1 T8161
CCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 T8162
COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T8163
CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 T8165
CC(=O)OCCc1ccc(O)c(O)c1 T8168
CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1O T8169
NCC(=O)N[C@@H](CCC(N)=O)C(O)=O T8171
O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O T8172
COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC T8175
CNc1cnn(-c2cccc(c2)C(F)(F)F)c(=O)c1Cl T8176
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O T8177
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CO)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O T8178
Oc1ccc2c(c1)occ(-c1ccccc1)c2=O T8180
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O T8181
CC(=O)O[C@H]1C[C@]2(C)CN3[C@H]4C[C@]56CC(=C)[C@@H]7[C@@H](O)[C@H]5[C@](C1)([C@@H]24)[C@H]3[C@@]6(O)C7OC(C)=O T8182
C\C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C T8184
O=C1O[C@]23C[C@H](C=CC2=C1)N1CCCC[C@H]31 T8185
[Na+].[Na+].OC1C(COP(O)(O)=O)OC(C1O)n1cnc2c([O-])nc([O-])nc12 T8186
COc1cc2CCN3Cc4c5OCOc5ccc4CC3c2cc1OC T8187
COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)C(=O)c2cc3OCOc3cc12 T8188
COc1ccc2C=C3N(CCc4cc5OCOc5cc34)Cc2c1OC T8189
Oc1cccc2oc(cc(=O)c12)-c1ccccc1 T8190
C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C([O-])=O T8191
CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O T8192
CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2 T8193
O=c1c(coc2ccccc12)-c1ccccc1 T8194
COc1cc2[C@@H](Cc3ccc(O)cc3)[N+](C)(C)CCc2cc1O T8195
Cn1c(Cc2ccccc2)nc(=O)c2ccccc12 T8196
COc1cc(C=C)ccc1O T8197
COc1c2ccoc2cc2oc(C)cc(=O)c12 T8198
CC1=C2[C@@H](OC1=O)[C@H](O)[C@@]13[C@H]4C[C@@H](C(C)(C)C)[C@@]11[C@@H](O)C(=O)O[C@H]1O[C@]23C(=O)O4 T8200
Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1O T8205
COc1ccc2c(OC)c3ccoc3nc2c1 T8207
COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O T8208
CC1(C)Oc2cc3oc(=O)ccc3cc2CC1O T8211
O=C1C(C2=CC(OC)=C(OC)C(O)=C2)=COC3=CC(OCO4)=C4C(O)=C13 T8212
Cc1coc2C[C@](C)(C=C)[C@@H]3[C@@H](OC(=O)C3=C)c12 T8213
CC(C)=CCc1c(O)c(CC=C(C)C)c2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1O T8214
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(O)=O)c(F)c1 T8217
O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1 T8218
FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1 T8219
Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 T8224
COc1ccc(C(O)=O)c(O)c1OC T8225
CC(=O)CCc1ccc(OC(C)=O)cc1 T8226
CSC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2ncnc(N)c2nc1 T8227
COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1 T8229
Cl.Nc1cc(Nc2ccc(cc2)S(N)(=O)=O)ncn1 T8230
OC(=O)COCCOCCOCCOCCOCCOCC(O)=O T8232
CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N T8233
Clc1ccc(CN2CCN(CC2)C(=O)C=Cc2ccc(Br)cc2)cc1 T8234
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F T8235
O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1 T8236
OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O T8239
CCCCCC\C=C/CCCC(O)=O T8240
CCCCCC\C=C/CCCCCCCCC(O)=O T8241
CC(C)C12CC1C(=C)CC2 T8242
C[C@@H]1CC[C@H](C[C@H]1O)C(C)=C T8243
CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 T8244
Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 T8245
COc1ccc(cc1)-c1cc(=O)c2ccccc2o1 T8246
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CCC2=C)C1(C)C T8247
Oc1ccc2c(c1)oc(-c1ccccc1)c(O)c2=O T8248
CC(C)CCCC(C)CCCC(C)CCCC(C)=O T8249
CC1=CC=CC(C)(C)CC1=O T8250
CC1(C)[C@@H]2C[C@H]1[C@@H](CO)CC2 T8251
CC(C)=CC1C(CO)C1(C)C T8252
CC(C)c1ccc(C)c(OC(C)=O)c1 T8253
COc1cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c(OC)c1OC T8254
O[C@@H](C1)[C@@H](c(cc2)cc(O)c2O)Oc2c1c(O)cc(O)c2 T8255
CC(C)C1CCC(C)=CC1=O T8256
C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] T8258
O.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C2=C(O)c2c(O)cccc12 T8259
Oc1ccc(cc1)-c1cc(=O)c2c(O)cccc2o1 T8260
[Na+].[Na+].CC1OC1P([O-])([O-])=O T8262
Oc1ccc(cc1)-c1oc2ccccc2c(=O)c1O T8263
CCC(C)C(=O)C(O)=O T8264
C[C@@H](CCO)CCC=C(C)C T8266
[Ca++].NC(CC([O-])=O)C([O-])=O T8267
Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1O T8268
COc1cc(CCN)ccc1O T8269
CCCCCCCC\C=C/CCCCCCCCC(O)=O T8271
CC(=O)CC(=O)CCC(O)=O T8273
Cn1cncc1C[C@H](N)C(O)=O T8274
C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)=C T8275
CCCCCC\C=C/CCCCCCCC(=O)OC T8276
CC(C)c1ccc2c(CC[C@@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1 T8278
CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C T8279
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3[C@@H](O)C=C(CO)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O T8280
C[S@](CCCCN=C=S)=O T8281
CC(=C)[C@H]1CCC(CO)=CC1 T8282
CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C T8283
Oc1ccc(N=Nc2ccccc2)c(O)c1 T8284
CCCCCCCCCCCCCCCCCCCCCCC(=O)OC T8285
C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 T8288
CC(C)[C@H]1CC=C(C)C=C1 T8289
COc1c(O)cc(cc1O)C(O)=O T8290
CC1=C[C@H]2[C@H](CC1)C2(C)C T8291
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C T8292
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 T8293
OC[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O T8294
CC1(C)CCCC2(C)C(CCO)C(C)(O)CCC12 T8295
COc1ccc(cc1)-c1cc(=O)c2c(OC)cc(OC)cc2o1 T8296
COc1cc2C[C@@H](C)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC T8297
Cl.O[C@H]1CCN2Cc3ccccc3N=C12 T8298
Br.[H][C@@]12C[C@H](O)[C@@]([H])(C[C@H](C1)OC(=O)[C@H](CO)c1ccccc1)N2C T8304
O.Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O T8305
[Cl-].COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC T8306
C\C=C\C=C\C=C/CC\C=C\C(=O)NCC(C)(C)O T8307
CC(C)(C)c1cc(CC2SC(=O)NC2=O)cc(c1O)C(C)(C)C T8308
CC(C)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=NO)[nH]c1=O T8309
CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC(F)F)cc2)n1 T8310
FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1 T8311
O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 T8312
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 T8313
CCCCCCCCCCOc1ccc(cc1)C(=O)Nc1cc(ccc1SC)C(=O)NCCCC T8314
CCCCCCCCCCCCNC(=O)NC1CCCCC1 T8315
COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(O)=O)c2n1 T8316
Oc1[nH]c2ccc(F)cc2c1-c1[nH]c2ccccc2c1N=O T8317
CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O T8318
CCCCOC(=O)c1ccccc1C(=O)OCC(C)C T8319
[O-]S(=O)(=O)C(F)(F)F.C[n+]1c2ccccc2c(C(=O)Oc2ccccc2)c2ccccc12 T8321
Fc1ccc(COc2cccc(c2)-c2n[nH]cc2-c2ccncc2)cc1 T8323
CCCCC(N1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O)C(O)=O T8324
Cn1cc(cn1)-n1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(nc12)N1CCOCC1 T8325
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O T8326
Fc1cccc(Cl)c1CN1C(=O)CSc2ccc(cc12)C(=O)NCc1ccco1 T8328
Cc1cccc(n1)-c1n[nH]cc1-c1ccc2nccnc2c1 T8330
Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12 T8331
[Na+].Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F T8332
OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O T8333
OC(=O)C1C2CC(C=C2)C1C(=O)Nc1ccc(Cl)c(Cl)c1 T8334
CC([O-])=O.Oc1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23 T8335
NNC(=O)c1sc2cccc(Cl)c2c1Cl T8336
CCCCc1cc2c(cc1OCc1ccccc1)[nH]cc(C(=O)OC)c2=O T8337
[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C T8339
Cc1c(C(=O)\C=C\c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] T8340
[Br-].CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C T8341
CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N T8342
Nc1nc(=O)c2[nH]c(=O)n([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1 T8343
Clc1ccc(cc1)-c1csc(NN=C2CCCC2)n1 T8344
CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1 T8345
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 T8348
Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)CCl T8350
OC(=O)c1cc2cccc(O)c2cc1O T8351
O=C1C(=O)c2ncccc2-c2cccnc12 T8352
OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O T8353
O.O.[Na+].CSc1nc2[n-]nc([N+]([O-])=O)c(=O)n2n1 T8354
COc1ccc(Nc2ccn(n2)-c2ccccc2)cc1 T8356
Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12 T8357
Cl.C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 T8358L
CC1(C)[C@@H]2C[C@H]1C(=C)CC2 T8360
[Br-].CC[N+](CC)(CC)CC T8361
Cl.NC(=N)c1ccccc1 T8362
NC(CO)C(O)=O T8363
Cc1cc(C)c(NC(=O)CN(CC(O)=O)CC(O)=O)c(C)c1Br T8364
C1N2CN3CN1CN(C2)C3.OC(=O)CNC(=O)c1ccccc1 T8365
OC(=O)C(CC(=O)c1ccc(F)cc1F)c1c[nH]c2ccccc12 T8366
CC(C)=CCCC(C)=CCCC(C)=O T8368
CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 T8370
CC(C)(C)NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1 T8371
CC(C)c1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(Br)c1 T8372
N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O T8373
OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)Oc1ccc(cc1)-c1ccccc1 T8374
Cc1onc(C(=O)N2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1[N+]([O-])=O T8375
O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCn2ccnc2)c2ccccc12 T8376
CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+]([O-])=O T8377
Cl.Cl.Cc1nc2ccc(cc2[nH]1)-n1c(nc2cnccc12)-c1nonc1N T8378
OC(=O)CC(=CC(O)=O)C(O)=O T8379
Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl T8380
CC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1[O-] T8381
Cl.CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 T8382
Cl.CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 T8383
Cl.COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 T8384
O.Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC T8385
CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 T8389
Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 T8390
O.N[C@@H](CC(N)=O)C(O)=O T8392
N[C@H](CO)C(O)=O T8394
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C(C)=C[C@@]21[H] T8395
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C T8396
Cl.CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2c(F)cc(F)cc2F)n1 T8398
Cl.C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl T8399
NCCC(O)(P(O)(O)=O)P(O)(O)=O T8400
C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 T8403
O.Cl.C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(O)=O T8404
CC(C)Oc1cc(Cl)ccc1CNc1cc(nc2ncnn12)-c1ccccc1 T8407
Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12 T8408
CC(C)CN1C(=O)\C(=C\C(O)=O)c2cccc(F)c12 T8410
CCCn1cnc2cc(NCc3ccc(Cl)cc3Cl)ccc12 T8411
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)cc1 T8412
Cl.OC(=O)C1CN(Cc2ccccc2)CCO1 T8415
Cl.CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 T8416
CN(C)c1ccc(cc1)C(=O)On1nnc2ccccc12 T8419
FC(F)(F)c1cccc(Nc2ccccc2C(=O)CCl)c1 T8421
CCN(CC)C([S-])=S.CCN(CC)C([S-])=S.[Cu+2] T8422
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 T8423
N[C@@H](CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(O)=O)c1ccccc1)C(O)=O T8424
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCO T8425
CN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ncnc4ccc(cc34)C#N)ccc2c1 T8430
Fc1c(Br)cccc1Nc1ncnc2cc3OCCOc3cc12 T8431
CCCCCCCc1cc(=O)c2ccccc2n1O T8433
Cc1ccc(O)c(\N=N\c2ccccc2)n1 T8434
Cl.[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1-n1ccnc1 T8435
C=CCN1CCN(CC1)c1nc2ccccc2nc1C#N T8437
Cc1c(Cl)cccc1NC(=O)c1cnc2ccccc2n1 T8438
Br.Br.Clc1ccc(CNC(=N)SCCCc2cnc[nH]2)cc1 T8439
N(c1c(nc2ccccn12)-c1ccccn1)c1ccccc1 T8440
C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1 T8441
Cl.COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1 T8442
Cc1cc2c(nc(nc2s1)N1CCNCC1)-c1ccccc1F T8443
O.Cl.Cc1cc2c(nc(nc2s1)N1CCNCC1)-c1ccccc1F T8443L
Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O T8444
C(Sc1ncnc2[nH]cnc12)c1cccc2ccccc12 T8445
FC(F)(F)c1nn2c([nH]c(CCl)cc2=O)c1-c1cccc2ccccc12 T8446
NC(=O)c1ccc(OCC(O)CN2CCC(=CC2)c2ccc(F)cc2)cc1 T8447
O=C1N=C2C=CC=CN2C11Cc2ccccc2C1 T8448
Fc1ccc(NC(=O)N2CCc3ccccc3C2c2ccc(cc2)C(F)(F)F)cc1 T8449
O=C(CSc1nnc(NCc2ccccc2)s1)NCC1CCCCC1 T8450
[O-][N+](=O)c1ccc(cc1)-c1ccc(C=NN2CC(=O)NC2=O)o1 T8452
O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1 T8453
Cc1c(nc2c3cccnc3ccn12)[C@@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 T8454
O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 T8457
[Na+].[Na+].[O-]c1nc2cc(C#N)c(cc2nc1[O-])[N+]([O-])=O T8458
[Na+].[Na+].[O-]c1nc2cc(c(cc2nc1[O-])[N+]([O-])=O)[N+]([O-])=O T8459
CN1CCN(CC1)c1ccc(cc1)Nc1nc2c(c(n1)Oc1cccc(c1)NC(=O)C=C)scc2 T8460
Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O T8461
CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C T8462
C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O T8463
[O-][N+](=O)c1ccc(\C=C2/CNC\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 T8464
NC(=O)c1ccc(cc1)-c1cnn2ccc(NCc3cccnc3)nc12 T8467
CC1(C)CC(=O)C2=C(C1)OC1=C(C2C2=C(O)C=C(O)C=C2)C(=O)CC(C)(C)C1 T8468
Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1 T8469
OC(=O)c1cc2c(Cl)c(ccc2o1)N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl T8471
[O-][N+](=O)c1cccc(c1)C(=O)C#Cc1ccccc1 T8473
OC(=O)C=CC(O)=O.C=CCN1CCN(CC1)c1nc2ccccc2nc1C#N T8475
CCN(CC)c1ccc(C=NNC(=O)c2ccncc2)c(O)c1 T8476
O=C(ON=C1c2ccccc2-c2nc3ccccc3nc12)c1ccco1 T8477
FC(F)(F)c1cc(NC(=O)Nc2cccc(Oc3ccc(cc3)C#N)c2)ccc1Cl T8478
OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)\C=C\c2ccccc2)[C@@H](O)[C@@H]1O T8479
Cl.CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 T8480
COC(=O)[C@H](CS)NC(=O)c1ccc(Br)cc1 T8483
O.OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O T8489
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 T8490
CN(C)C(=O)N1CC[C@@H](C1)NC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C T8491
COc1ccc(cc1)-c1cc(Nc2ccnc(n2)N2CCOCC2)on1 T8492
O[C@H]([C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N1C[C@H](O)[C@H](O)C1 T8493
Cl.CCCCCCNC(=N)NCc1ccccc1 T8494
Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1 T8495
CN(C)c1ccc(C=C2C(=O)Nc3ccccc23)c2ccccc12 T8496
OB(O)c1ccc(OC(F)(F)F)cc1CSc1ncc(cn1)C(=O)Nc1ccc(F)cc1 T8497
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C/C(NC1=O)=N\O T8498
C\C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc21)c1ccccn1 T8500
O=C(NC1CCN(Cc2ccccc2)CC1)C12CC3CC(C1)CC(C3)(C2)c1ccccc1 T8501
O=C(NC1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 T8502
CC(C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O T8503
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F T8505
COCCOc1nc(nc2CCN(Cc12)C(=O)c1ncn2ccccc12)-c1ccc(Cl)nc1 T8506
[O-][N+](=O)c1cc(ccc1N1CCCCC1)C(=O)NC(=S)Nc1ccc(Cl)cn1 T8507
ONC(=O)CCc1ccc(CN[C@@H](C2CCCCC2)C(=O)OC2CCCC2)cn1 T8508
CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O T8512
CC(C)[C@@H]1CN(CCN1)c1nc(Nc2cc([nH]n2)C(C)(C)C)c2cc[nH]c2n1 T8513
Cn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1 T8514
O=c1[nH]c(Cc2ccccn2)nc2n(ncc12)C1CCOCC1 T8515
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO T8517
O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](Oc2coccc2=O)[C@H](O)[C@H]1O T8518
CC(O)=O.NC(=N)N\N=C\c1cccc(Cl)c1Cl T8519
c1nn[nH]n1 T8520
COc1ccc(cc1)N=Nc1c(N)n[nH]c1N T8523
OC1=C(O)C=C(\\C=C(/C#N)C(=O)C2=CC=CC=C2)C=C1 T8525
CN(C)C(=N)NC(N)=N T8526
Clc1ccccc1C=CC=C1C(=O)NN(C1=O)c1ccccc1 T8527
C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1 T8528
CC1(C)CCS(=O)c2ccc(cc12)C#Cc1ncc(cn1)C(O)=O T8529
[Na+].[O-]C(=O)CS T8530
Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F T8531
FC(F)(F)Oc1ccc(NC(=N)NC(=N)N2CCCC2)cc1 T8532
Fc1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F T8533
NC(\C(=C\c1ccc(O)cc1)C#N)=C(C#N)C#N T8534
COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC T8535
Cc1ccc(cc1Cl)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O T8536
Oc1ccc(O)c(\C=C2\C(=O)Nc3ccccc23)c1 T8537
CCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 T8538
Cl.Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 T8542
Cl.COc1ccc(cc1)S(=O)(=O)Nc1ccccc1CN(C)C\C=C\c1ccc(Cl)cc1 T8543
On1c(=O)n(CC2CC2)c2ccccc2c1=O T8545
O=c1c2CCCCc2[nH]n1-c1nc2ccccc2s1 T8546
CCN(CC)C(=O)c1cccc(c1)C(O)=O T8547
Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 T8548
OCCN1CCN(CCS(O)(=O)=O)CC1 T8549
Oc1ccccc1C(=O)Nc1ccc(Cl)cc1F T8550
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 T8551
OC(=O)C(F)(F)F.COc1ccc(OC)c(c1)C(=O)N[C@@H]1CN2CCC1CC2 T8552
Oc1cccc(Nc2nc(cs2)-c2ccccn2)c1 T8554
Oc1cc(O)cc(c1)C(=O)NN=Cc1ccc(O)c(c1)[N+]([O-])=O T8555
CN1C2CCC1CC(C2)=NO T8558
FC(F)(F)C(=O)O.O=C(OCC3c1ccccc1c2ccccc23)N[C@@H](CC4CCCCC4)C(=O)N[C@@H](CCCCN)C(=O)Nc5ccc6c(c5)OC(=O)C=C6C T8559
Cc1ncc(n1CCOC(=O)NC(Nc1ncccn1)C(Cl)(Cl)Cl)[N+]([O-])=O T8561
FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1 T8562
Clc1cccc2nc(oc(=O)c12)-c1ccccc1Br T8563
COc1ccccc1CNC(=O)C(C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1 T8564
[Cl].CNc1nc(NCc2ccccc2)c2ccccc2n1 T8565
COc1ccc(cc1C)S(=O)(=O)N1CCCCC1 T8566
Nc1c(snc1-c1cccc(c1)C(F)(F)F)C(O)=O T8567
Cn1nc(-c2cccc(F)c2)n(C)c1=S T8568
[O-][N+](=O)C1=Cc2cc(Br)cc(Br)c2OC1c1ccc(Br)cc1 T8569
Clc1cccc(c1)-n1cc(nn1)C(=O)N1CCSCC1 T8570
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C T8571
Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F T8572
NC(=N)N/N=C/c1cccc([Cl])c1[Cl] T8573
Cc1ccc(o1)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F T8574
OC(=O)c1ccccc1NCCc1ccccc1 T8575
CC(=O)Nc1ccc(cc1)S(=O)(=O)Oc1noc2ccccc12 T8576
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 T8578
FC(F)(F)COc1ncccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1 T8579
OC(COC1=C(Cl)C=CC(C)=C1)CNC(C)(C)C T8580
[Cl].[H][C@]1(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CCCCN1 T8581
Cc1cc(CN2CCNCC2)no1 T8582
[H][C@@]1(NCCNC1=O)c1cccs1 T8583
[H][C@@]1(CC(=O)NC(=O)N1)c1ccccc1 T8584
COc1ccc2nc3CCCCc3c(N)c2c1 T8585
[H][C@](C)(C(O)=O)c1ccc-2c(Cc3ccccc-23)c1 T8586
Clc1ccccc1Cn1ncc(Cl)c(Cl)c1=O T8587
O=C(OCCO)NCC1=CC=CC=C1 T8588
CC[C@H](N)c1ccc(cc1C)N(C)C T8589
NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 T8590
Oc1cccc(c1)-c1nc2sc3CCCCc3c2c(=O)[nH]1 T8591
OCc1sc(nc1-c1ccccc1)N1CCOCC1 T8592
COc1ccc2[nH]cc(C3=CCNCC3)c2c1 T8593
CCC(C(=O)NC(N)=O)c1ccccc1 T8594
CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 T8595
Cn1c(CSc2nc3ccccc3s2)n[nH]c1=S T8596
C(C1CCN(CC1)c1ncnc2sccc12)c1ccccc1 T8597
O=c2nc1ccccc1c3cn(nc23)c4ccccc4 T8598
Cl.Cl.NCCc1cc[nH]n1 T8599
CC(=O)NCCc1cnc2ccccc12 T8600
CCc1cc2c(CCCC2=O)n1Cc1ccccc1 T8601
ClCN1C(=O)c2ccccc2S1(=O)=O T8602
CCOC(=O)c1c(N)sc(c1C)-c1ccccc1 T8603
ClCCC(=O)NCCc1ccccc1 T8604
C(Sc1nnc(o1)-c1ccncc1)c1nc(no1)-c1ccccc1 T8605
CC(=O)N1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 T8606
Cl.CCCCNc1nc2ccccc2[nH]1 T8607
C(Cc1ccccc1)Nc1nc(cs1)-c1ccccc1 T8608
CS(O)(=O)=O.C(Cc1ccccc1)Nc1nc(cs1)-c1ccccc1 T8608L
CN1Cc2cc(Br)ccc2NC1=O T8609
OC(=O)c2cc1occc1n2 T8610
NS(=O)(=O)c1ccc2CCCc2c1 T8611
CSc1nccn1C T8612
CCn1c(N)cc(=O)[nH]c1=O T8613
OC(=O)Cc1csc(n1)-c1ccc(Cl)cc1 T8614
O=[S]1(=O)CCCN1 T8615
CC(CC(NC1=CC=C(Cl)C(C(F)(F)F)=C1)=O)=O T8616
Cl.Cc1nc(NC(N)=N)nc2ccccc12 T8617
OC(=O)c1cc(I)c(I)c(I)c1 T8618
ClC1=CCC=C2C(=O)N=CN=C12 T8619
CCOC(=O)c1cnc(SC)nc1N T8621
CCOC(=O)c1c(C)[nH]c2ccc(O)cc12 T8622
Fc1ccc(cc1)C(CCCCl)c1ccc(F)cc1 T8623
CCc1nc(C)ccc1O T8624
Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O T8625
OC(=O)c2cc(=O)c1ccccc1n2 T8626
CC(=O)Nc1ccc(cc1)S(N)(=O)=O T8627
Oc1c(I)cc(I)cc1I T8628
C(Cc1ccccc1)NCc1ccccc1 T8629
[Cl].[H][C@@](CN)(CC(O)=O)c1ccc(Cl)cc1 T8630
C[N+]1=CC=CC(=C1)OC(=O)N(C)C T8631
OC(=O)c1c2ccccc2cc2ccccc12 T8632
OC1c2ccccc2-c2ccccc12 T8633
Cn1c2[nH]c(Br)nc2c(=O)n(C)c1=O T8634
COc1c(O)ccc(C=CC(CC(C=Cc2cc(OC)c(O)cc2)=O)=O)c1 T8635
Nc3ncnc4nnc(c2ccc(Oc1ccccc1)cc2)c34 T8636
COc1cc(C=O)c(cc1OC)[N+]([O-])=O T8637
CC(C)([H])C[C@]([H])(NC(=O)OC[C@@]2([H])c1ccccc1c3ccccc23)C(=O)O T8638
[Cl].[H][C@](CN)(CC(O)=O)c1ccccc1 T8639
O=C2CCCCc1nc(ncc12)Nc3cc(C#N)sc3 T8640
CC(C)C(C(=O)Nc1nccs1)c1ccc(Cl)cc1 T8642
Cc1ncccc1C(=O)n1ccnc1 T8643
Clc1cccnc1N([C@@H]1CCCNC1)C(=O)c1ccc(cc1)-n1nnc2cccnc12 T8645
NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O T8646
CCOC(=O)c1cnc2ccc(OC(F)(F)F)cc2c1Nc1ccccc1C(O)=O T8647
Cc1n[nH]c(=O)[nH]c1=O T8648
Nc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O T8649
O=C1N(C2=CC=CC=C2)C([C@@H](NC3=C4N=CNC4=NC=N3)C)=NC5=C1C(F)=CC=C5 T8651
COc1cccc2cc(C(=O)Nc3cccc(c3)-c3cn4ccccc4n3)c(=O)oc12 T8652
Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O T8653
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F T8654
[Li+].[O-]C(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(nn1)-n1ccnc1 T8655
CS(=O)(=O)c1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F T8656
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N T8657
Cc1cc(cn(C)c1=O)-c1ccc2nc(C3CCOCC3)n(CCOC(F)(F)F)c2c1 T8658
Cc1ccc(cc1)-n1cc2c(C)nn(CCCC(=O)NCCc3ccc(F)cc3)c(=O)c2n1 T8659
FC(F)(F)C(=O)O.FC(F)(F)C(=O)O.N#CC(c1nc2ccccc2s1)c4ccnc(NCCc3cccnc3)n4 T8661
Cl.CC(C)NCC(O)c1ccc(cc1)[N+]([O-])=O T8663
CC(C)NCC(O)c1ccc(cc1)[N+]([O-])=O T8663L
Cl.COc1cc(nc(NC2CCCCC2)n1)-c1ccc(cc1)C(F)(F)F T8664
CN(C)Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 T8665
CN(C)C(CS(O)(=O)=O)c1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 T8665L
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 T8666
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 T8668
O=C(c1ccc2C(=O)OC(=O)c2c1)c1ccc2C(=O)OC(=O)c2c1 T8669
OC(=O)[C@H](Cc1ccccc1C#N)NC(=O)OCC1c2ccccc2-c2ccccc12 T8670
O=C1c2ccccc2C(=C2c3ccccc3C(=O)c3ccccc23)c2ccccc12 T8671
CC(C)(c1ccc(O)c(c1)-c1ccccc1)c1ccc(O)c(c1)-c1ccccc1 T8672
OC(=O)[C@@H]1Cc2c(CN1C(=O)OCC1c3ccccc3-c3ccccc13)[nH]c1ccccc21 T8673
CS(O)(=O)=O.NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(O)=O)cc1 T8676
Clc1oc(=O)c2ccccc2c1Cl T8677
Oc1ccc(O)c2C(=O)C=CC(=O)c12 T8678
Cl.NC(N)=NCCNS(=O)(=O)c1cccc2cnccc12 T8681
Cn1cc(cn1)c2ccc5c(c2)ncnc5Nc4cccc(NC(=O)Nc3cccc(F)c3)c4 T8685
FC(F)(F)c2cc(ccc2N1CCC(C)CC1)NC(=O)c3ccc(cc3)CN4CCOCC4 T8686
OC(CN(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O T8687
CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1cnc[nH]1 T8688
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 T8689
Cl.O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 T8690
O=C1CC(CN1Cc1ccccc1)Nc1ncnc2nc[nH]c12 T8692
C=CCSSSCC=C T8693
CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2OCOc2c1 T8694
OC[C@H]([C@H](C1)O)O[C@H]1N(C=C(CO)C(N1)=O)C1=O T8695
Cl.CC(C)NCC(O)COc1cccc2ccccc12 T8696
CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N(Cc1ccco1)Cc1ccc(Cl)cc1 T8697
CCOc1cc(F)c(Cl)cc1C(=O)NCC(C)(C)CC(O)=O T8698
Clc1ccc(cc1)C(=O)NNC(=O)CSc1ccc2ccccc2n1 T8700
Cc1ccc(C)c(OCCNC2CCN(CC2)C(=O)c2ccncc2)c1 T8701
CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1 T8702
Oc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccc(O)c(O)c1O T8703
CC(=O)Oc1ccc(O)cc1 T8704
CC1(C)Cc2oc(=Nc3ccccc3)sc2C(=O)C1 T8705
Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 T8708
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2OC(=O)CCc1ccccc1 T8709
COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 T8710
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C T8712
Fc1ccc(N\N=C(/C#N)C(=O)c2ccc(Cl)cc2)cc1Cl T8719
Cl.COc1cc(Cl)cc(C(C)Nc2cc(ccc2S(C)(=O)=O)N2CCNCC2)c1OC T8720
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1C)C(F)(F)F T8721
Cl.C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1C)C(F)(F)F T8721L
Clc1ccc(NC(=S)NNC(=O)CC#N)cc1Cl T8722
COC1N(C)c2c(ccc3cc4OCOc4cc23)-c2ccc3OCOc3c12 T8724
Cl.CN1C[C@H]2CN(C[C@H]2C1)c3ccc(nn3)c4ccccc4 T8725
C(c1ccccc1)n1c(Sc2ncnc3c4cccnc4sc23)nnc1-c1ccncc1 T8727
COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1 T8728
O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1 T8729
OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 T8730
OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O T8732
CC(C)CC1=C(C(=O)OC1=O)c1ccc(OCC=C(C)C)cc1 T8733
[OH-].C[N+](C)(C)CCO T8734
Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 T8735
O.O.Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 T8736
COc1ccc(NC(=O)c2ccc(c(C)c2)-c2ccncc2)cc1N1CCN(C)CC1 T8737
Cl.Cc1ccc(cc1)N(CC1=NCCN1)c1ccc(O)cc1 T8738
Clc1cc(Cl)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 T8740
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccc(F)c2)s1 T8741
CCOC(=O)N1C\C(=C/c2ccccc2F)C(=O)\C(C1)=C\c1ccccc1F T8742
Cl.C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCOCC1)c1cccc(c1C)C(F)(F)F T8746L
Cl.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O T8747
Cc1c(Br)sc2[nH]c(=O)n(c(=O)c12)C(C)(C)C(=O)OC(C)(C)C T8749
[H][C@@]12O[C@H]([C@@H](O)[C@]1([H])OC(C)(C)O2)C(=O)N1CCOCC1 T8750
[H][C@@]12CC[C@H]([C@H](C)CCCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@@H](CC)[C@]2([H])C[C@H](O)CC[C@]12C T8752
Cl.Cl.CN(C)CCNC(=O)C(C)(C)N T8753
Cc1c(sc2[nH]c(=O)n(c(=O)c12)C(C)(C)C(=O)OC(C)(C)C)-c1ncco1 T8754
Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 T8756
O.Cl.Cl.C[C@H]1CNCCc2ccc(Cl)cc12.C[C@H]1CNCCc2ccc(Cl)cc12 T8757
[I-].C[n+]1cccc2c(N)cccc12 T8760
O=C(Nc1cccnc1)c1cccs1 T8762
COc1ccccc1N1CCN(CC1)C(=O)Cc1ccccc1 T8763
O=C(C1=CC(C2=CC=CC(N3CCNCC3)=C2)=CN=C1N)NC4=CC=NC=C4 T8764
O=C(Nc1ccccc1)N(CC1)CCN1c1c(cc[nH]2)c2ccc1O=C(Nc1ccccc1)N(CC1)CCN1c1c(cc[nH]2)c2ccc1 T8765
O=C(Nc(cc1)ccc1Cl)N(CC1)CCN1c1c(cc[nH]2)c2ccc1 T8766
CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SCC1=O T8767
Cl.COc1ccc2c3CCN=C(C)c3[nH]c2c1 T8769
CC1=NCCc2c1[nH]c1cc(O)ccc21 T8770
COc1c(ccc2occc12)C(=O)CC(=O)c1ccccc1 T8771
CC(C)(CC1)CC2C3=CCC(C(C)(CC4)C(C(C5)O)C(C)(C)C4O)C5(C)C3(C)CCC12C(O)=O T8772
CCOc1ccc(cc1)C(=O)Nc1ncc(s1)[N+]([O-])=O T8773
CC(=O)n1c2c(CCCC2=O)c2ccccc12 T8774
CC(C)NC(=O)C(C)(C)COc1cccc2nc(C)c(C(O)=O)c(N)c12 T8776
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO T8777
CCCOc1ccccc1C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F T8778
Cc1cc(nn1CC(=O)Nc1sc2CCCCc2c1C(N)=O)C(F)(F)F T8779
[O-][N+](=O)c1ccc(C=NNC(=O)COc2ccc(Br)c3ccccc23)s1 T8782
Cc1ccc(cc1)-c1ccccc1 T8783
O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 T8784
COc1ccc(Nc2cc(NC3CCCCC3)ncn2)cc1 T8786
CCOc1ccc(CC2=NCCc3cc(OCC)c(OCC)cc23)cc1OCC T8787
OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 T8788
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O T8789
Cl.Cl.Cn1cnc(CCN)c1 T8790
CC(C)N1CCC(CC1)NC(=O)c1c(Cl)cccc1Cl T8793
CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1 T8794
Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 T8796
COc1cc2cc(sc2cc1OC)C(=O)CCC(O)=O T8798
COc1cc(Br)cc(\C=C2\NC(=S)NC2=O)c1O T8799
O=C(C1=CC=CC=C1O)N/N=C/C2=C3C=CC=CC3=CC=C2O T8800
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12 T8801
C1CC2(COC(OC2)c2ccco2)CC=C1 T8802
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2nc(nc2C1)C(F)(F)F T8806
CN(C)CCCOC1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3 T8807
Cl.CCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1 T8812
C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1 T8814
Brc1ccc(cc1)-c1cnc(\C=N\N2CC(=O)NC2=O)o1 T8815
Clc1ccc(CCNC2CCN(Cc3ccccc3)CC2)c(Cl)c1 T8816
Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1 T8818
COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 T8819
Cl.COc1cccc(c1)-c1cc(NCc2ccc3OCOc3c2)nc(N)n1 T8820
Cl.Cl.C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 T8822
CC=CC(=O)N1C(Cc2ccccc2)COC1=O T8823
Oc1cc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c3cccc(c1)c23 T8824
Nc1nccnn1 T8826
CCn1c(cs\c1=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl T8827
CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc(c1)C(C)(C)O T8828
Oc1ccc(C(=O)C=Cc2ccccc2)c(O)c1 T8829
[Na+].[Na+].COc1ccc2[nH]c(cc(=O)c2c1OP([O-])([O-])=O)-c1cccc(F)c1 T8830
COc1ccc2[nH]c(cc(=O)c2c1OP(O)(O)=O)-c1cccc(F)c1 T8830L
OC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O T8833
Cl.CC(=O)N1CCN(CCOCc2ccn(n2)-c2ccc(F)c(F)c2)CC1 T8834
Cl.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F T8835
CCOC(=O)COc1ccc(C=C2SC(N)=NC2=O)cc1OC T8838
COc1ccccc1-n1c(\C=C\c2ccc(O)c(O)c2)nc2ccccc2c1=O T8839
CC(Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1C)C(=O)N(C)C T8841
C[C@@H](Oc1ccc2c(cc(=O)oc2c1)-c1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](C1)C(O)=O T8842
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 T8844
O=C(C1=NOC(C)=C1)NC2=CC=C(Cl)C=C2Cl T8845
C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1 T8849
COc1ccc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cc1OC T8850
Cc1cc(O)nc(SCC(=O)c2cccc3ccccc23)n1 T8851
Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1 T8854
[O-][N+](=O)c1cc(NC(=O)Nc2ccc(F)cc2)ccc1Cl T8858
COc1cc2c[n+](C)c3c(ccc4cc5OCOc5cc34)c2cc1OC T8859
Cl.CCn1c(cc2cccnc12)-c1nc2cc(cc(OC)c2n1C)C(=O)N1CCC[C@@H](N)C1 T8861
CC1(COC1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 T8862
COc1ccccc1OCCN1CC(COc2cccc3[nH]c4ccccc4c23)OCC1=O T8863
CCOC(=O)N1CCN(CC1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O T8864
OC(=O)CS(=O)CC(=O)Nc1ccc2OCOc2c1 T8865
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F T8866
Cl.Cc1cnc(s1)N1CCC(C)=C(C1)c1cnc(NC(=O)c2c(F)cccc2F)cn1 T8867
NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1 T8868
CC(=O)c1ccc(cc1)S(C)=O T8870
[O-][N+](=O)c1ccc(\C=C\c2nc3ccc(F)cc3c(=O)n2-c2ccccc2)o1 T8871
Fc1ccccc1CN1CCN(CC1)C(=O)c1ccc2[nH]c(nc2c1)-c1ccccc1 T8873
Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(O)=O)c(Cl)c1 T8874
CC(C)[C@H]1C[C@@H]1c1cc(nnc1C)-c1c[nH]c(=O)[nH]c1=O T8875
Brc1ccc2C(=O)C(=O)C=Cc2c1 T8877
Oc1ccc2c(c1)oc(=O)c1cc(O)c(O)c(O)c21 T8878
O=C(N(Cc1cccs1)C1CC1)c1ccc(cc1)C#N T8879
CC(C)CN1C(=S)S\C(=C/c2ccc(O)cc2)C1=O T8880
Cc1ccc(cc1C#Cc1cnc2ccccc2c1)C(=O)NNC(=O)c1c(C)cccc1Cl T8882
OC(=O)Cc1c[nH]c2ccc(cc12)-c1ccccc1 T8885
OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccccc2)c1 T8886
COc1ccccc1-c1cc(=O)c2cc(C)ccc2o1 T8887
Cl.NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O T8890
COc1ccccc1OCCN1CC(CCOc2cccc3[nH]c4ccccc4c23)OCC1=O T8891
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 T8892
NO T8894
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C T8895
NC(=O)CI T8897
C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]1C(=C)[C@@H](O)C[C@H]2O T8898
COc1ccc(cc1OC)-c1cncc(N[C@@H](C)c2cccc(NC(=O)c3cncc(C)c3)c2)n1 T8900
CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O T8901
Cc1ccc(C=Nc2ccccc2C(=O)Nc2ccccc2)s1 T8903
CSc1nc2[nH]nc([N+]([O-])=O)c(=O)n2n1 T8904
OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1 T8906
Cl.Cl.Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1 T8907
Clc1ccc(cc1)C(=O)CBr T8908
CCOC(=O)c1c(N)scc1-c1ccc(OC)cc1 T8909
NC(=O)c1cc(sc1N)-c1ccccc1 T8910
COC(=O)c1cc(on1)-c1ccc(OC)c(OC)c1 T8911
CCN1CCc2nc(N)sc2C1 T8912
OC(=O)C1CN(C(=O)C1)c1ccc2OCCOc2c1 T8913
CCOC(=O)c1c(N)scc1-c1ccc(C)cc1 T8914
CN(CC(O)=O)C(=O)CN T8915
CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C2(CC2)C1 T8916
COC(=O)c1cn2nc(Cl)cc(c2n1)C(C)(C)C T8917
COc1cc(C=CC(=O)NCCCCN)ccc1O T8918
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 T8919
NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 T8920
O=C1N(CCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 T8921
CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 T8922
CC(C)C[C@@H](CN)CC(O)=O T8923
OC(C(CCC(O)=O)NC(NC(C(O)=O)CCCCN)=O)=O.OC(C(F)(F)F)=O T8925L
[Na+].Oc1ccccc1C(=O)NCCCCCCCC([O-])=O T8926
COc1ccc(cc1)N1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O T8927
OC(COc1ccc(cc1)C(F)(F)F)CN(Cc1ccccc1)Cc1ccccc1 T8929
COc1cccc(c1)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)S(N)(=O)=O T8930
Cl.O=C(CSC1=NCCN1)NC1CCCCCC1 T8931L
C[C@H](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1 T8932
[H][C@@]12OC(C)=N[C@]1([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2 T8934
OC1(Cc2ccccc2)CCN(CC1)C(=O)c1cccnc1-c1ccncc1 T8937
Brc1ccc(cc1)-c1nc2c(ccc3ccccc23)n1-c1ccccc1 T8940
CN(C)C(=O)\N=N\C(=O)N(C)C T8941
O=C(NC1=CC=CC(S(=O)(NCCN)=O)=C1)C(C)CC2=CC=CC(C(F)(F)F)=C2.[H]Cl T8943
C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 T8944
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1O T8950
O=C(O[Na])C1=CC=CC=C1/C=C/C(C2=C(OC)C=CC=C2)=O T8951
[Br-].COc1ccc([I+]c2ccc(OC)cc2)cc1 T8952
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CC(=O)N(C2CCCCC2)C(=O)N1 T8954
Cc1ccsc1C(=O)N\N=C\c1ccc2ccccc2c1O T8955
C(CNCc1ccc(cc1)-c1nccs1)NCc1ccc(cc1)-c1nccs1 T8956
CC[C@@H](N)CNc1nc(nc2ccccc12)-c1cc(Cl)ccc1O T8957
OC(C=CC(Cl)=C1)=C1C2=NC(C=CC=C3)=C3C(NC[C@H](N)CC)=N2.Cl.Cl T8957L
Cc1ccc(Sc2nc3n(CCCC#C)cnc(=N)c3[nH]2)c(C)c1 T8958
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cscn2)CC1 T8959
COc1cc(Nc2ccc(cc2C(O)=O)[N+]([O-])=O)cc2ccccc12 T8960
CS(=O)(=O)c1ccccc1N1CCN(CC1)c1nc2CCSCc2c(=O)[nH]1 T8964
COc1ccccc1OCCNCC(O)CCOc1cccc2[nH]c3ccccc3c12 T8965
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 T8966
Oc1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c2ccccc12 T8967
C[C@@H](CN1CCC2(CC1)C(=O)NCN2C3=CC(=CC=C3)F)NC(=O)C4=CC=C(C=C4)Br T8968
C1=C(C(=O)C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N T8969
COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl T8970
NC(=O)c1ncn-2c1CN=C(c1ccccc1Br)c1cc(F)ccc-21 T8971
Fc1ccc(N2CCCCC2)c(NC(=S)c2ccncc2)c1 T8972
Oc1ccc(c(O)c1)-c1ccc2cc(O)ccc2c1 T8973
CC(C)(C)C1CCN(CC1)C(=O)n1ncc(n1)C(O)(c1ccccc1)c1ccccc1 T8974
CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1 T8975
CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl T8976
CC(CC(=O)Nc1ccc2[nH]c(nc2c1)-c1cscn1)c1cccc(Cl)c1 T8977
COc1ccc(cc1N)-c1oc2ccccc2c(=O)c1N T8978
Fc1ccc(cc1)-c1csc2ncnc(NCc3ccc4OCOc4c3)c12 T8979
COc1ccc(-c2nn(CC=C)c3c(cccc23)C(F)(F)F)c(OC)c1 T8980
Oc1ccc(-c2nn(CC=C)c3c(cccc23)C(F)(F)F)c(O)c1 T8981
Nc1nnc(Sc2cc(c(Cl)cc2[N+]([O-])=O)-n2cccc2)[nH]1 T8982
C1=CSC(=C1)S(=O)(=O)C2=NC=CN=C2C#N T8983
[Na+].Cc1cc(N=Nc2ccc(cc2)N=Nc2ccc(O)c(c2)C(O)=O)c(N)cc1N T8985
CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=C(C=C3)C#C)C T8986
Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 T8987
OC(=O)c1cnc(s1)-c1ccc(cn1)C(O)=O T8988
CC1=CC=CC=C1COC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C T8991
CCC1CCCCN1C(=O)n1ncc(n1)C(O)(c1ccccc1)c1ccccc1 T8994
COc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12 T8995
COCCCC1CCCCN1C(=O)Oc1ccc(cc1)[N+]([O-])=O T8997
COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCCC2)Cl T8998
CCOC(=O)C1(Cc2cccc(c2)C(F)(F)F)CCN(Cc2ccc(cc2)C#CCCO)CC1 T8999
CC(C)(C)C1=CC=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC(=NC=C3)Cl T9000
C1CCN(CC1)CCOC2=CC=C(C=C2)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O T9001
O=C1OC(OC2=CC=C(C3=CC=CC=C3)C=C2[N+]([O-])=O)C=C1C T9007
COc1ccc(cc1)C(=O)c1oc2ccccc2c1NC(C)=O T9008
[O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 T9009
CC(=O)OC[C@H]1CC[C@@H](O1)n1cnc2c(Nc3cccc(O)c3)ncnc12 T9010
COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C T9011
Cl.Cl.NCc1c[nH]c2nc(N)[nH]c(=O)c12 T9012
CC(C)Oc1ccc(cc1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)OC(C)(C)C T9013
COc1ccc(cc1)-c1cc([nH]n1)C(=O)N\N=C(/C)c1ccc(OC)c(OC)c1 T9014
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O T9015
FC(F)(F)Oc1ccc2nc([nH]c2c1)-c1ccccn1 T9016
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2ccsc2[nH]c1=O T9017
CCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c(F)cccc12 T9018
CCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2cccc(F)c12 T9019
CNC(=O)c1cc(cn(Cc2ccccc2)c1=O)C(=O)NC1CC1 T9020
FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1 T9021
CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 T9022
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 T9023
NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1 T9024
CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2cc(Cl)c(Cl)cc12 T9025
Oc1ccc(cc1)C(=O)NN\C=C1/C(=O)C=Cc2ccccc12 T9026
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 T9027
CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] T9028
O=C(C1=CC=C([N+]([O-])=O)O1)NC2=CC=C(CCCCCC)C=C2 T9029
O=CN1CCN(CC1)c1ccc(C=C2C(=O)Nc3ccccc23)cc1 T9030
CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(cc1)N(CC)CC T9031
O=C(CSc1nnc[nH]1)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 T9032
C1=CC=C(C(=C1)C(=O)N)N=CC2=CC=C(S2)Br T9033
C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4 T9034
CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C T9035
CC(C)Nc1ccc(Nc2ccccc2)cc1 T9036
C1CCC(CC1)NSc1nc2ccccc2s1 T9037
Cl.CCNCC T9038
C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCCC(=O)O T9039
O=C(NC1=CC=C(NC2=C3C=C(OC)C(OC)=CC3=NC=N2)C=C1)C4=CC=CC=C4 T9040
CC(C)(C)C1=CC=C(C(NC2=CC=C(C(NO)=O)C=C2)=O)C=C1 T9041
O=C(NC1=CC=C(C(F)(F)F)C=C1)C2=CC=C(N)C=C2 T9042
O=C(N)CN1CCN(C2=CC=C(NC3=NC=C4C(N(CC5=CC(F)=CC(F)=C5)C=C4)=N3)C=C2)CC1 T9043
O=C(C1=CC(C(C)(C)C)=NN1CC2=CC=CC=C2)O T9044
C1COCCN1SC2=NC3=CC=CC=C3S2 T9046
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C T9047
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=NN=C(N)N)/C=C/C2=CC=C(O2)[N+](=O)[O-].Cl T9049
O=C(C1=CNC2=NC=CC=C12)/N=C(SC=C3)/N3CC4=CC=CC=C4 T9053
COC(=O)C1=C(NC(=N[C@H]1C2=C(C=C(C=C2)F)Cl)C3=NC=CS3)CN4CCOC[C@H]4C(=O)O T9054
O=C1C2=CC(O)=C(O)C(O)=C2[C@@]3([H])[C@]([C@@H](O)[C@H](O)[C@@H](CO)O3)([H])O1 T9057
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)OCCO T9058
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C#N)C(=O)O T9059
Oc1ccc(cc1)C(=NNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1ccc(O)cc1 T90596
O=C(C(N=C1N2C=CC=C1)=CC2=O)NCC3=CN4C=C(CNCC5CCCCC5)C=CC4=N3 T9060
CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C T9061
CC(NC1=CC=C(C2=NC3=CC=C(Cl)C=C3N=C2)C=C1)=O T9062
O=C1N=C(S/C1=C/C2=CC=C(C=C2)Br)NS(=O)(C3=CC=CC4=C3C=CC=C4)=O T9063
C[C@]1(C2=C(C=C(C=C2)C3=CNN=C3)C(=O)N1)C4=NC=NC=C4F.O T9064
CC(C)C1=CC(=C(C=C1)O)O T9065
CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC)F T9066
FC1=CC=C(NC2=NC(NC3=CC=CC=C3)=NC(NCC4=NC=CC=N4)=N2)C=C1 T9070
CC(C)(C)OC(=O)C1=CC(=C(C=C1)NC23CC4CC(C2)CC(C4)C3)N=CC5=CN=CN=C5 T9073
O=C(NC1=CC=NC=C1)C(C2=C3C=NN2C4CCNCC4)=CN(CC5=CC=C(Cl)C(Cl)=C5)C3=O T9075
C1=CC(=C(C=C1CCN)O)O T9077
O=C(N1CCC(NC2=CC(C)=NC3=C(C(C)C)C=NN23)CC1)OC4CN(C(/C=C/CN(C)C)=O)CC4 T9078
O=C(NC1CCCCCC1)C(C2=CC=CC=C2)SC3=NCCN3C T9079
O=C(C1=CC2=CC=CC=C2S1)NCCCCN3CCN(C4=CC=CC=C4OC)CC3 T9081
C1=CC2=C(C=C1C(=O)O)OC=N2 T9082
CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)N T9083
O=C(O)CN1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=CC=C3)CC1.[H]Cl.[H]Cl T9084
O=C(O)CNC(CC1)CS1(=O)=O T9085
OC(CN(C([2H])([2H])[2H])C(N)=N)=O.O T9087
COc1cc2c3cnc4cc5OCOc5cc4c3n(CCN(C)C)c(=O)c2cc1OC T9088
O=C(NO)C1=CC=CC=C1NC2=C(Cl)C=C(C3=C(C)NN=C3C)C=C2Cl T9089
O=C(C1=C(OC)C=CC=C1OC)N2CCC(C3=NC(C4=CC=C(C)C=C4)=NO3)CC2 T9090
O=C(OC1=C2N=CC=CC2=C([N+]([O-])=O)C=C1)C3=CC=C(Cl)C=C3Cl T9094
O=C(NC1=NC=CS1)CSC2=C(C#N)C(C3=CC=C(C)C=C3)CC(N2)=O T9095
N=C(NO)NCC[C@H](N)C(O)=O T9096
NC(=N)NCC1COC2(CCCCC2)O1 T9097
Cc1c(O)ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c1 T9099
O=C(C1=CC=C2C=CC=CC2=C1)NCCCCN3CCN(C4=CC=CC=C4OC)CC3 T9100
CC1=CC(C2=CC=CC=C2)=CC(C(NNS(=O)(C3=CC(O)=CC=C3)=O)=O)=C1F T9102
OCCN1CCN(C2=C3C=CC=CC3=NC(C4=CC=CC=C4)=N2)CC1 T9103
CCCCCCCC1=CC(C(OC)=O)=C(N)S1 T9104
CC(N(CC1)CCN1C(c1cc(-c2ccc(C)o2)nc2ccccc12)=O)=O T9106
Cc(occ1)c1C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c1cccc2)=O T9107
O=C1N(CCC)C2=CC=CN=C2NC3=C1C=CC(Cl)=C3 T9108
O=C(C1=CC=NO1)NCC2=CC=C(N3CCN(C)CC3)C=C2 T9109
O=C(NC1=CN(CC2=CC=C(C(F)(F)F)C=C2C(F)(F)F)N=C1)C3=NOC(C4=CC=CO4)=C3 T9110
Nc1c2nnn([C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2ncn1 T9111
CC(=C)[C@H]1CCC(C=O)=CC1 T9112
COc1cc(CC=C)cc2OCOc12 T9113
C\C1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 T9114
COc1cc(ccc1O)C(O)=O T9115
O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2=O)CC1 T9116
Fc(cc1)ccc1-c(cc1)ccc1Nc1nc(Cl)nc(Cl)n1 T9118
O=C(C1=CC(C2=CC=C(S(=O)(NC3=CC4=C(C=C3)CCCN4C(C5CC5)=O)=O)C=C2)=CC=C1)N T9119
CN(CCO)c1ccc(/C=C(\c(cc2)ccc2C#N)/C#N)cc1 T9120
O=C(C1=C(N(C)N=N2)C2=CC(C3=CC=C(C4=CC=CC=C4C)C=C3)=C1)O T9121
O=C(C1=C[C@H](NC(N)=N)[C@@H](NC(C)=O)[C@H]([C@H](OC)[C@H](O)COC(CCCCCCC)=O)O1)O T9124
C=CC(N(CCC1)C[C@@H]1N(c(ccnc1N)c1N1c(cc2)ccc2Oc2ccccc2)C1=O)=O T9125
Cc(c1c2sc(C(NC(C3=O)=C(C)N(C)N3c3ccccc3)=O)c1)nn2-c1ccccc1 T9127
CC(CNC)CN(c1c(CC2)cccc1)c1c2cccc1 T9128
O=C(/C(CCC/1)=C/C2=CC(C#N)=CC=C2)C1=C\C3=CC=CC(C#N)=C3 T9129
CCOC(C(N(C)N=C1)=O)=C1N1CCOCC1 T9132
O=C1N(CCN(CC)CC)C2=C(C=CC=C2)N=C1CC3=CC=C(OC)C=C3.[H]Cl T9133
CCN(CC)CCn1c2ccccc2nc(Cc2ccc(OC)cc2)c1=O T9133L
CC(C)c(cc([C@H]([C@H]([C@H]1C(C)(C)CCC[C@]112)OC2=O)O)c1c1O)c1O T9135
O=C(C1Cc(cc2)ccc2Cl)N(CCS2)C2=NC1=O T9136
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)NC3=CC=C(O)C(NS(=O)(C4=CC=C(F)C=C4)=O)=C3 T9137
Oc([nH]c1c2cccc1)c2-c([nH]c1c2cccc1)c2N=O T9138
C=CCOC(C1=CC=C(Cl)C=C1Cl)CN2C=CN=C2.O=S(O)(O)=O T9139
O=C(NC1=CC=C(Cl)C(Cl)=C1)N(C2CCN(CCCC)CC2)CC3=CC=CC=C3.[H]Cl T9140
O=C(C1=CN(C2=NC(NC3CCOCC3)=NC=C2C)C=N1)N[C@@H](C4=CC(F)=CC(Cl)=C4)CN T9141
CC[C@@H](C)[C@H](C(O)=O)N T9143
C[C@@](CCCC1=C)(C[C@H]([C@H](C2)C3=C)OC3=O)[C@@]12O T9144
O=C(NO)C1=CC=C(CN(C2=NC=CN=C2)C3=NC=CN=C3)C=C1 T9148
O=C(C1=NC=C(C(F)F)N=C1)NC2(C3)CC3(NC(COC4=CC=C(Cl)C(F)=C4)=O)C2 T9149
O=C(NC(NC1=O)=S)C21C(C3=CC=C(Cl)C=C3)CC(C4=CC=C(Cl)C=C4)=N2 T9150
O=C(C1=NNC2=C1C=C(C3=CC(CN4CCCCC4)=CN=C3)C=C2)NC5=CC=C(OC)N=C5 T9151
Oc1ccccc1-c1nc2ccccc2[nH]1 T9152
COc(ccc(C(NCc1cnccc1)=O)c1)c1C(NCc1cnccc1)=O T9153
C[C@]1(C(C(C(CC2)O)OC)C22OC2)OC1CC=C(C)C T9155
O=C(C1=CC=CC=C1N)/C=C/C2=CC=CC([N+]([O-])=O)=C2 T9156
Fc(cc1)ccc1Nc1nc(-c2ccccc2)cs1 T9157
N#C[C@@H](c1ccccc1)O T9158
CN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 T9159
Oc(cccc12)c1nccc2Cl T9160
CC1C(C)(C)C(C=CC(C)=O)C(C)=CC1 T9163
O=C(N[C@@H]([C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C23)CC1)C)C4=CC=C(Cl)C=C4 T9164
O=C(C1=NC=C(N2CCN(CC3=CC(N4)=C(N=C3)C=C(CC)C4=O)CC2)C=C1)NC T9165
O=S(C1=C(OC)C=CC=C1OC)(NC2=NOC3=C2C(OC)=CC(CN4N=CC=C4)=C3)=O T9167
CC(C)(CN1C(=O)C(Cl)=C(Cl)C1=O)CN1C(=O)C(Cl)=C(Cl)C1=O T9168
C[n+](cc1)ccc1-c1ccccc1.[I-] T9169
C[C@@]12[C@@H](OC(CCCCCCCCC)=O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])CC2)=O T9170
CCCCCCC(O[C@@H](CC1)[C@@](C)(CC2)[C@@H]1[C@H](CC[C@H]1C3)[C@H]2[C@@]1(C)C(C)=CC3=O)=O T9171
[H]Cl.O=C1N(CC2=CC=CC=C2)C3(CCN(C)CC3)NC1.[H]Cl T9172
NC(N)=N/N=C/c(cccc1)c1Cl T9174
FC1=CC=C(C2=C1)N(C3CC3)CNS2(=O)=O T9177
O=C1Nc(cccc2)c2C1=Cc1ncccc1 T9178
Fc(cc12)ccc2ncnc1NCc(cc1)ccc1Cl T9181
CCc1c(C)c(C(Nc2ccc([C@@H]3OCCNC3)cc2)=O)n[nH]1 T9183
CN(C)CC1=CC=CC(NC2=CC=C(C3=C4OCCOC4=CC=C3)C=C2OC)=C1 T9184
COC1=CC(C2=C3OCCOC3=CC=C2)=CC=C1NC4=CC=CC(CN(C)C)=C4.[H]Cl T9184L
O=C(C1=CN=C(C2=CC(OC3=NC=CC=C3OCC)=CN=C2)N=C1)N[C@@H]4COCC4 T9186
O=C(O)C1=CC=C([C@H]2N(CC3=C(OC)C=C(C)C4=C3C=CN4)CC[C@H](OCC)C2)C=C1.[H]Cl T9189
CC(SC1OC(CO)C2O)=NC1C2O T9190
O=C(N1CC(OC(C)C)C1)NCC2=CC=C(C3=NC(NC4=CN(C)N=C4)=NC=C3)C=C2C T9192
CC(NCCN1C2=CC(OC)=C(Cl)C=C2N=C1OC)=O T9193
CC1=C(C2=CC3=NC(CCC4=CC=C(OC)C(Cl)=C4)=C(NC5CCCCC5)N3C=C2)C(C)=NO1 T9194
CN(C(C1)C[C@@H](C2)[C@H]1CN2C(Nc1nc(OC)ns1)=O)c1ncnc2c1cc[nH]2 T9195
NC1(C)CCN(C2=CN=C3C(NN=C3C4=CC=CC(Cl)=C4Cl)=N2)CC1 T9196
O=C(N(C1=C2C=CC(F)=C1)CC3=NC4=CC(CN)=CC=C4N3CCCC(F)(F)F)C52CC5.[H]Cl T9197
O=C(C1=NC(C)=CC=C1C(C2=CC=C(F)C=C2)=O)OC T9200
O=C(O)CN(C1=CC=C(NC2=NC(N3CCCC3)=NC=C2)C=C1)S(=O)(C4=C(C)C=C(C)C=C4C)=O T9202
O=C(C1=NC(C2=NNC=C2)=CC=C1)NC3=CC=C(NC(C4=CC=CC(NC(C=C)=O)=C4)=O)C=C3 T9203
COc(ccc(NC(c(cc1)ccc1-c1ccccc1)=O)c1)c1NS(c(cc1)ccc1F)(=O)=O T9204
O=C(NC1=CC=C(OC)C(S(=O)(N2CCOCC2)=O)=C1)C3=CC=CC(N4C=CC=C4)=C3 T9205
Oc(ccc1ccccc11)c1N=Nc1ncccc1 T9206
Oc(c(Cl)cc(/C=C(/c(cc(cc1)C(c2ccco2)=O)c1N1)\C1=O)c1)c1Cl T9207
O=C1NC2=C(C=C(C(C3=CC=CO3)=O)C=C2)C1=CC4=CC(Cl)=C(O)C(Cl)=C4 T9207L
Oc1cc(O)c2c(O)cc(O)cc2c1 T9208
O[C@H]1[C@H](N2N=CC3=C(NC4CCCC4)N=C(Cl)N=C32)O[C@H](COCP(O)(O)=O)[C@H]1O T9210
Fc(cc1)ccc1OCCC(Cn1cncc1)c(ccc(Cl)c1)c1Cl T9212
OCC(N(C1)CCC(N2)=C1C3=C2C(Cl)=C(Cl)C=C3C4=NN(C)C=C4)=O T9213
O=C1N(C2=CC=CC=C2)C3=C(C(C(C)(C)CC3)=O)C1(C4=C(C)NN(C5=CC=CC=C5)C4=O)C(F)(F)F T9214
O=C(NC1=CC(C(F)(F)F)=NC=C1)NC2=C([C@@H](OC)C)N3C(N=C2)=CC(Cl)=N3 T9216
O=C(NC)C1=CC=C(C2=C(CC)C(C3=CC=C(O)C=C3)=C(N)N=C2)C=C1 T9217
C[C@@](CO)(CCC1)[C@@H](CC2)[C@]1(C)[C@H](CCC1=CCOC1=O)C2=C T9218
OC(COC1=C2C=CC=CC2=CC=C1)CN3CCN(C4=CC=CC=C4OC)CC3.[H]Cl T9220
O=C(C1=CC=CC(Br)=C1)N2CCC(N3CCCC3)CC2.[H]Cl T9221
O=S(C1=NN(C(C)C)C=C1)(NC(NC2=C3CCCC3=CC4=C2CCC4)=O)=O T9222
CC(C)(c1c2c(ccc(C#N)c3)c3[nH]1)c(cc(cc1)N(CC3)CCC3N3CCOCC3)c1C2=O T9224
O=C(c(cc1)cc(NC(c2c3cccc2)=O)c1S3(=O)=O)NCc1cnc(C(F)(F)F)s1 T9225
O=S(C1=CC=CC=C1)(NC2C(N3CCN(C4=CC=CC=C4OC)CC3)CCCC2)=O T9226
CC(C)[C@@H](C(N[C@@H](C)C(Nc1ccc(CO)cc1)=O)=O)N T9227
CCC(C(C=C1N2CCCN(C)C)=CC=C1SC3=C2C=CC=C3)=O.[H]Cl T9228
Oc1c(C=NNC(c(cc2)cc(O)c2O)=O)cccc1 T9230
CCC1=CC=CC=C1OCCN2CCCCCC2.[H]Cl T9231
CC(c(cc(cc1)Cl)c1O)=NNc(c(Cl)cc(Cl)c1)c1Cl T9232
Cc(n1CC(O)=O)ncc1[N+]([O-])=O T9233
O=C(NC1=O)SC1=CC2=CC(C3=NC(N4CCN(C(C)=O)CC4)=CC=C3[N+]([O-])=O)=CC=C2F T9235
NC1=NC(C2=CC=C(OC)C(C)=C2)=C(C3=CC=C(OC)C(C)=C3)C=C1 T9236
CCCN(CCc1cccs1)C(CC1)Cc2c1c(O)ccc2 T9237
O=C(C(Nc1ccccc1)=O)c1cn(Cc2ccccc2)c2c1cccc2 T9238
[O-][N+](c1cc(N(c2ncccc2C(N2Cc3ccncc3)=O)C2=O)ccc1)=O T9239
O=C(N(CC(C)(C)C)C(CC1)CS1(=O)=O)CCl T9240
[2H]C([2H])([2H])S(C([2H])([2H])[2H])=O T9242
O=C(C1=NC=CC=C1)NNC2=NC=CC=C2 T9243
O=C1CC(C2CCN(CC3=CC=CC=C3)CC2)SC4=CC=CC=C14 T9244
OC(c(ccc(Cl)c1)c1NC(COc(cccc1)c1Cl)=O)=O T9245
CC(C)C(N1c(cc2)ccc2C#N)=Nc(cc(cc2)O)c2C1=O T9247
Cc1c([C@@H](C2)[C@H]2c2nn3c(C)cnc(C)c3n2)nc2n1ccc1c2cccn1 T9248
CCOC(c1c(B(O)O)cco1)=O T9250
Cc(cc1)nc(OC)c1-c1cc(Nc2cncc(O[C@H]3CNCCC3)n2)n[nH]1 T9252
O=C(N(C)C)CC1=C(C2=CC=C(C)C=C2)N=C3C=CC(C)=CN31.O=C(O)[C@H](O)[C@@H](O)C(O)=O T9255
C[C@@H](CCO)O T9257
O=C(C1=CN(C)N=C1)N[C@@H]2CCC3=C2C=CC(C4=NOC(CC)=N4)=C3 T9258
O=C([O-])C(CCC([O-])=O)=O.[H]O[H].[Ca+2] T9259
CN(C)C1=CC=C(/C=C/C2=C(F)C=CC=C2Cl)C=C1 T9262
O=C(NC1=NOC(C)=C1)C(C2=CC=CC=C2)N3CCCC4=C3C=CC=C4 T9263
CCCC1=NC=CC(C2=NC(C3=CC=C(C)C=C3)=CS2)=C1 T9266
C1CC2(COC(OC2)C2=CC=CO2)CC=C1 T9268
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)CCl T9269
O=C(C(N(CC1=C2C=CC(N)=C1)C2=O)CC3)NC3=O T9270
O=C1N(CC2=CC=C(Cl)C=C2)C(/C=C/C3=CC=CN=C3)=NC4=C1C=CC=C4 T9271
FC(C1=CC(C2=CCN(CCC3=CC=C4C=CC=CC4=C3)CC2)=CC=C1)(F)F.[H]Cl T9272
O=C(O)C(CC(NCCC1=CC=C(OCO2)C2=C1)=O)CC3=CC=C(C)C=C3 T9274
O=C(C1=CC2=CC=CC=C2O1)NC3=CC=C(C(NC4=CC=C(C5=NC6=CC=CC=C6O5)C=C4)=O)C=C3 T9276
C=CC(C)(OC(C)=O)CCC=C(C)CC/C=C(C)\C T9279
CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C T9280
O=C(O)CCCC(N1C2=CC=CC=C2C#CC3=CC=CC=C3C1)=O T9282
NC(CO)(CO)CO.C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1 T9284
c1ccc(nc1)-c1nc(nc(n1)-c1ccccn1)-c1ccccn1 T9285
CCN(CCCC(C)Nc1c(ccc(Cl)c2)c2ncc1)CCO T9287
OC(=O)C(Cl)Br T9288
O=C1OC(C2=C1C=CC=C2O)=O T9290
Oc(cc1)cc(C(N2C(CCC(N3)=O)C3=O)=O)c1C2=O T9291
NC(C(C)C)C(O)=O T9294
COC(CCCCCCCCC=C)=O T9296
OC[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O T9297
CC(C)[C@H](C(O)=O)N T9298
CC(C)C[C@H](C(O)=O)N T9299
O=C(C(Cc(c1ccc2)c[nH]c1c2Cl)N1)NC1=O T9305
CC(N1CCN(CCOCC2=NN(C3=CC=C(F)C(F)=C3)C=C2)CC1)=O.O=C(O)/C=C\C(O)=O T9306
O.[Na+].Oc1ccccc1\C=N\c1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S([O-])(=O)=O T9308
COc1c(B(O)O)cc(/C=C/C(c(cc2OC)cc(OC)c2OC)=O)cc1 T9320
C=CC(Nc1ccccc1)=O T9322
Nc(cc(C(F)(F)F)c(S(N)(=O)=O)c1)c1S(N)(=O)=O T9323
OC(c(cc1-c2ccccc2)nn1-c1ccccc1)=O T9324
CO/N=C(\C(O)=O)/c1csc(N)n1 T9325
COc1ccc(CCN)cc1OC T9326
OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O T9333
CNc(ccc(C(O)=O)c1)c1[N+]([O-])=O T9337
Cc(cc1)ccc1OCCN(C)C(Cn1ncc(NC(CCOc2ccccc2)=O)c1)=O T9349
O=C(O)C(CC1)NC1=O T9371
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(O)=O T9416
CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1OC(=O)C(C)C)C(C)C T9419
[Br-].CC[N+]1(CC)CCC(C1C)=C(c1ccccc1)c1ccccc1 T9420
CC(C=C(C1CCCCC1)N1OCOP(O)(O)=O)=CC1=O T9422
C#CCCC(NCCc(cc1)ccc1O)=O T9423
CN1C2C(N(C)C1=O)N(C)C(=O)N2C T9424
N[C@@H](C[SeH])C(O)=O T9427
O=C(c(cc(CC(c1c2cccc1)=NNC2=O)cc1)c1F)N1CC(CNC2CC2)C1 T9430
Oc1ccc2cc(Br)ccc2c1 T9432
[Ni+2].[O-2] T9433
OC(C#N)c1cccc(Oc2ccccc2)c1 T9434
CCOC(=O)c1ccc(cc1)N1CCNCC1 T9435
N#CC(\N=N\c1ccccc1)C#N T9436
COC1(CC1)C(O)=O T9437
OC(=O)c1cc(c(F)c(F)c1F)[N+]([O-])=O T9438
Cc1ccc(O)c(N)c1 T9441
OC(=O)c1ccc(Cl)c(c1)[N+]([O-])=O T9442
Oc1ccc(cc1Cl)[N+]([O-])=O T9443
NC(N/N=C/c1ccc([N+]([O-])=O)o1)=O T9449
OCCNC(c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1)=O T9452
C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1c(cc1)c3c(O)c1O)C2=O T9454
C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1c(cc1)c3c(OC)c1O)[C@H]2O T9456
Fc1ccc(Cc2cn3cc(nc3s2)-c2cc3ccccc3oc2=O)cc1 T9460
Nc1nc(NC2CC2)c2nc[nH]c2n1 T9462
ONc1ccnc(=O)[nH]1 T9463
Cc1cc(CN)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl T9464
CC(C)(c1c2ccc(Nc(nc3)nc(N[C@H](CO)c4ccccc4)c3-c3nnco3)c1)OC2=O T9470
O=C(C(CC(c(cccc1)c1N1)=CC1=O)NC(c(cc1)ccc1Cl)=O)OCCN1CCOCC1 T9472
CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1 T9491
COc1cc(CC(N)C(O)=O)ccc1O T9492
CCCCCCC(N)C(O)=O T9493
OC(=O)CCc1c[nH]cn1 T9494
O=C1C2=C(N3N=C2)N=C(C=C3)N4[C@@](CCC4)([H])C5=CC(F)=CN=C5CCC(C)N1 T9496
O=S(C1=CC=C(C)C=C1)(O)=O.O=C(C2=CC=CC3=CN(C4=CC=C([C@H]5CNCCC5)C=C4)N=C23)N T9497
FC(F)C1=CN=CC(C2=CC=C(N=CC3=NN=C(C4=CCCOCC4)N35)C5=C2)=C1 T9498
C[C@](CNC(c1nc(OC)c(C(F)(F)F)cc1N)=O)(C(F)(F)F)O T9499
CCCCCCCCCCCC(C)=O T9502
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO T9503
CCCCCCCCCCC(=O)OC T9505
CCCCC\C=C\C=C\C=O T9506
CCCCCCCC(=O)OCC(O)CO T9508
COC(=O)C(O)CC(C)C T9509
CCOC(=O)CC(=C)C(O)=O T9511
CCCCCC=CCC=CCCCCCCCCO T9512
COC(=O)CCc1ccccc1 T9513
CCCCCCCCCCCCO T9514
Nc1c2ncn([C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2nc(NN=CC2CCCCC2)n1 T9516
Nc1ncnc2n(Cc3c(F)cccc3Cl)cnc12 T9517
C[C@H](c1cnc(C(F)(F)F)nc1)NC(c1cc(-c2ncc(C)s2)cc(O[C@H]2COCC2)c1)=O T9519
N.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)COCCOC T9520
OC(=O)C(F)(F)F.CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1 T9521
Cc(cc1)nn1-c1nc(N2CCOCC2)cc(NC(CC2)CCC2(F)F)n1 T9522
Cl[La](Cl)Cl T9524
CCS(c(cccc1)c1C(N(CC1)[C@@H](C)CN1c1nc(ccc(F)c2)c2s1)=O)(=O)=O T9528
Cc1cccc(C)c1NC(CN(C)C)=O T9530
COc1cc(C(NC=NNc2cccc(NC(c3ccccc3)=O)c2)=O)cc(OC)c1OC T9531
N[C@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O T9537
CC(C)(C)c1cc(C=O)cc(c1)C(C)(C)C T9538
NNCCc1ccccc1NNCCc1ccccc1 T9540
CN(C(CC1)C2)C1C=C2c(scc1)c1Br T9542
Cc1ccccc1C(=O)O\N=C1/CCCCC1c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T9544
COc1ccc(cc1)C(=O)O\N=C1/CCCCC1c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O T9545
Oc1c(I)cc(c2cccnc12)S(O)(=O)=O T9549
O=C(c(cc1)ccc1-c1ccccc1)Nc1cccc(NS(c(cc2)ccc2F)(=O)=O)c1 T9554
COc1cccc(NC(c(ccc(-c2cnc3[nH]ccc3c2)c2)c2OC)=O)c1 T9557
COC([C@H](Cc1c([C@H]2c(cc3)ccc3C(OC)=O)[nH]c3c1cccc3)N2C(CCl)=O)=O T9561
O[C@H](CCCC1)[C@@H]1NC(c(cn1)cc(-c(cc2)cc(Cl)c2Cl)c1OCC(F)(F)F)=O T9565
CC(C)(C)OC(N(CC1)CCN1c1c(N)nnc(-c(cccc2)c2O)c1)=O T9568
N[C@H](C[C@@H](C1)C(F)(F)F)CN1c(c1cccnc11)ccc1C#N T9570
Clc1c[nH]c2nc(Cl)nc(Cl)c12 T9571
CCc(c(C#N)c(N(CC1)CCC1N)nc1SC(C(N)=O)c2ccccc2)c1C#N T9573
FC1=C(C2=C(C3=CC=C(C(NN=C4CN)=O)C4=C3)C=NN2C)C(C#N)=C(C=CC=C5)C5=C1 T9575
C[C@@]1([C@H](n2c3nc(N)nc(NC)c3nc2)O[C@H](CO)[C@H]1O)F T9577
O=C(C1(CC1)c(cccc1)c1F)Nc(cc1)nn1-c1cc(F)ncc1 T9578
OC(/C=C\C(N(C/C(/C1=O)=C\c(cccc2)c2Cl)C/C1=C\c(cccc1)c1Cl)=O)=O T9582
CC(=O)N1c2ccccc2Oc2ccccc12 T9583
O=C(c1ccc(CN(C2CC2)C(c(cc2)cc(OC3)c2NC3=O)=O)cc1)Nc1ncncc1 T9584
CCc(cc1)ccc1/C(/c1ccccc1)=C(\c1ccccc1)/Br T9586
COc(ccc(-c1cccc(NC(C(Cl)Cl)=O)c1)c1)c1OC T9587
COc1cccc2c1[nH]cc2/C=C/C(NCCc(cccc1)c1OCC=C)=O T9588
OCCNc1nc(NCCc2ccccc2)c(cnn2C=Cc3ccccc3)c2n1 T9589
N=C(NN=CC1=CC=CC(/C=N/NC(N)=N)=C1)N.[H]Cl.[H]Cl T9591
C[C@@H](C1)OC[C@H](Cc(cc2)ccc2Cl)N1C(CC1)CCN1c1nc(N)n[nH]1 T9592
O=C(c(cc(CN(c1cccc(F)c1C(N1)=O)C1=O)cc1)c1F)N(CC1)CCN1c1ncccn1 T9593
N#Cc1cc([C@@H](CCC2)[C@H](C3)N2C(c(cc2)cc4c2nc[nH]4)=O)c3cc1 T9594
O=[N+](C1=CC=CC=C1N2C(/C=C/C=N/NC(N)=N)=CC=C2)[O-].CC(O)=O T9596
O=C(NSC(=O)c1ccccc1)c1ccccc1 T9597
COc1cc(C=O)cc(OC)c1OC T9599
CC(C)(C)c1ccc(O)c(c1)C(C)(C)C T9600
CCCCCCCCCC(OCC(CO)O)=O T9602
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2ncnc(N)c12)=O T9605
C[C@H](c1cc2ccccc2cc1)NC(c1c(C)cccc1)=O T9606
Brc1ccccc1C(=O)Nc1ncnc2sc3CCCCc3c12 T9608
Cn1c(-c2ccco2)nc2c1cc(Nc(cc1OC)cc(OC)c1OC)nc2 T9609
COc(ccc(-c1c(C(NCCCn2ncnc2)=O)nco1)c1)c1Cl T9611
Nc1c(COc(cc2)ccc2Oc2ccccc2)cccc1 T9614
[Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O T9620
COc1ccccc1Oc1c(Cl)nc(nc1NS(=O)(=O)c1ccc(C)cn1)-c1ccncc1 T9621
OC(c1ccc(C2(CC2)NC(c2c3n(Cc4ccc(C(F)(F)F)cc4)ccc3ccc2)=O)cc1)=O T9622
CC(CCC1C(C)(C)C(C)=CC1)C(C)O T9625
NC1(CCCC1)C(O)=O T9626
N#Cc(cc1)ccc1-c1cccc2ncnn12 T9627
OC(CN1C(=O)CSC1=O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12 T9628
Cc1cc(NC(c(cc2)cc(OC)c2OC)=O)no1 T9629
CCOC(N(CC1)CCN1C(c(sc1c2ccc(F)c1)c2Cl)=O)=O T9630
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1 T9631
OC(=O)CC1(CC(=O)Nc2ccc(F)cc2)CCCCC1 T9632
CC(C1=C(C)c2cnc(Nc3ncc(C4CCNCC4)cc3)nc2N(C2CCCC2)C1=O)=O T9636
O=C(N)C1C=2NC=3C=CC(=CC3C2CCC1)C T9648
OC1=CC=CC(=C1)NC=2C=CN=C3C=C(SC32)C=4C=CC=C(C4)CN5CCOCC5 T9659
O=C(c1c(cc[nH]2)c2ccc1)Oc1cc(Cl)cnc1 T9672
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 T9675
N#Cc1c(NC(c2nccnc2)=O)sc2c1CCCC2 T9679
CCN(C=C(C(O)=O)C(c1c2)=O)c1cc(-n1cccc1)c2F T9680
Cl.CC1=NC=CC=C1C1=CN=C(NCC2=C3CCOC3=CC=C2F)N2C=NN=C12 T9681
Cn1nccc1[C@@H](CCCC1)[C@H]1Oc(cc(c(S(Nc1ncncc1)(=O)=O)c1)F)c1Cl T9685
O=C(OC1)N[C@@]21C[C@@H](C(N3CC(OCC4=CC=C(C)C(Cl)=C4)C3)=O)C2 T9687
C[C@H](CC[C@H](C1)Nc(nc(NC(C)(C)C)nc2)c2C(N)=O)[C@@H]1O T9688
NC(CC1)CCN1c(c1cc(-c(cccc2C#N)c2O)ccc1nc1)c1-c1cc(F)cc(F)c1 T9692
Cc1cc(C)nc(C2)c1CN2C(CC(C1)CN1c1cc(C(F)(F)F)ncc1)=O T9694
CN(C)c(cc1)ccc1-c1nc(ccc(F)c2)c2[nH]1 T9696
CC(C)n1c(-c2cccc(NC(c3cn(-c4nccnc4)nc3OC)=O)n2)nnc1 T9697
FC(F)(F)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)nc1 T9698
OC(=O)C1=CC=C(CN(CC2CC2)C(=O)C2=CC=C(OC3=CC=CC=C3F)C=C2)C=C1 T9699
CN(c1ncccc1OC[C@@H]1NC(c2nc(Cc3ccccc3)n[nH]2)=O)C1=O T9702
C#Cc1ccc2ccc3cccc4ccc1c2c34 T9704
C=CC(N(CC1)CCC1(CNc1ncnc(N)c1-c(cc1)ccc1Oc1ccccc1)F)=O T9705
C=CC(N(CCC1)C[C@@H]1n(c1c2C(N)=NNC1=O)nc2-c(cc1)ccc1Oc1ccccc1)=O T9706
O=C(C1=C(O)N=C(C2=CC=CC=C2O)S1)N3OCCC3 T9709
O=C(C1=C(C2=CC=CC=C2F)N=C(C)O1)NC(C(C(N)=O)=O)CC3=CC=CC=C3 T9710
OC(C(CC(N1CCC2(CC(C3)C4)CC4CC3C2)=O)SC1=Nc(cc1)ccc1Cl)=O T9711
Nc1ccc(N2CCOCC2)c2nonc12 T9713
COc1[nH]c(=O)c(C(=O)[C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c(O)c1OC T9714
CN(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Cl T9717
CCCCCC(CC(O)=O)O T9719
[O-][N+](c(ccc1ncc2)cc1c2Nc(cc1)ccc1C(Nc(cc1)ccc1Nc1ccncc1)=O)=O T9720
Cc1nn(C)c2c1ccc(-c1noc(C(CC3)CCN3C(CNC(c3ccccc3)=O)=O)n1)c2 T9722
O=C(c(sc1c2cccc1)c2Cl)NCc1cnccc1 T9723
Brc1ccc(COc2ncnc3ccccc23)cc1 T9724
COc(ccc(/C=C1\SC(N)=NC1=O)c1)c1OC T9725
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O T9726
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F T9727
Fc1c(Cl)cc(cc1Cl)C(=O)C(F)(F)F T9728
CCn1c(cc(cc2)C(NC[C@@H](C)O)=O)c2nc1C(c1ccccc1)(c1ccccc1)O T9732
Nc1nc(SCc(cc2)ccc2Cl)nn1S(c(cc1)cc2c1OCC2)(=O)=O T9733
Cc(c(cc(cc1)Cl)c1s1)c1S(Nc1cc(CN)ccc1)(=O)=O T9734
CN1CCN(CC1)c1cc(c(cn1)C(N)=O)-c1ccccc1C T9735
CC(C)c(cc1)nc(OC)c1-c1cnc2sc(N(CC3)CCC3(CN)O)nn12 T9741
CN1C[C@H](C[C@H](C1)NC2=NC3=C(NC=C3)C(N2CC=C)=O)C4=CC=C(C=C4)OCC5=CC=CC=C5 T9742
CCCN(C(c(scc1)c1N1Cc2cc(NC(Cc3ccccc3)=O)ccc2)=O)C1=O T9743
CCCCCCOc1ccc(CNCC(OCC)OCC)cc1 T9744
COc(cccc1)c1NC(NCc(cc1)ccc1C(NO)=O)=O T9745
CCC(N)Cc1c[nH]c2ccc(OC)cc12 T9746
[O-][N+](c(cc1)ccc1NC(Cc1cccs1)=O)=O T9747
Cc1cc(=O)oc2cc(NC(=O)c3ccc(cc3)[N+]([O-])=O)ccc12 T9748
[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CC T9750
CC1(C)[C@H](C=C(Cl)Cl)[C@@]1(Cc1c(F)c(F)cc(F)c1F)C(O)=O T9751
CC1(C)NC(C2=C1N=C(C3=CNC4=C3C=CC=C4C#N)C=C2)=O T9752
O=C(CCCc1ccccc1)C(NCCc(cc1)ccc1Oc1ncc(C(F)(F)F)cc1)=O T9753
O=C(NC)C1=NC(F)=C(C=C1)N2CCN(CC=3C=CC=4N=C(C(=O)NC4C3F)C)CC2 T9756
ClC1=CC=C(NC(=O)CSC2=NC3=CC=CC=C3N2)N=C1 T9758
CC1CCN(CC1)C1=CC=C(NC(=O)C2=CC=C(CN3CCOCC3)C=C2)C=C1C(F)(F)F T9761
O=C(NC1=NC(C2=CC=CC=C2)=CS1)CCN3CCN(CC4=CC=CC=C4)CC3 T9765
CC(C)(C(O)=O)Oc1ccc(CNC(c2c(C)nc(-c3ccc(C(F)(F)F)cc3)s2)=O)cc1 T9766
COC1=CC=C(CN2CCN(CCOC(=O)C3=CC=CN=C3)CC2)C(OC)=C1OC T9768
CCN(CCN)Cc1cccc(Br)c1 T9776
COc1cccc(\C=N\Nc2ncnc3scc(-c4ccccc4)c23)c1O T9777
Fc1ccc(Nc2nc3ccccc3s2)cc1 T9779
COc1cc(CC(O)=O)cc(OC)c1OC T9780
CC(C)(C)OC(=O)CCCCCCCCCCCCCCC([O-])=O T9781
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(O)=O T9783
OC(=O)CCCCCCCCCCCCCCCCCCCCC(O)=O T9784
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(O)=O T9785
O=C(c1c(C(F)(F)F)nc(-c2ncccn2)s1)NC[C@H](c(cc1)ccc1Cl)N1CCOCC1 T9786
ClC1=CC=C(OC[C@H]2N[C@H](C3)[C@H]3C2)C=N1 T9787
Oc1ccc([C@H]([C@H]2[C@@H]3CCC2)Oc(cc2)c3cc2O)cc1 T9799
Oc1ccc([C@H]([C@H]2[C@@H]3CCC2)Oc(cc2)c3cc2O)cc1 T9800
C[C@@H]1OC(=O)NN=C1C1=CC=C(C2=CC=C(F)C=C2)C(=C1)C(F)(F)F T9805
OC(=O)c1ccc(SSc2ccc(cn2)C(O)=O)nc1 T9807
CCCCCCCCCCCCCCSCC(O)=O T9808
COC1=CC(=CC(OC)=C1OC)C1=CC=NC2=CC(=NN12)C1=CC=C(C)C=C1 T9812
CCCn1c(=O)n(-c2ccc(Cl)cc2)c2nc[nH]c2c1=O T9816
CC(C)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 T9817
FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 T9818
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(O)=O T9820
CCN(CC)c(cc1)ccc1-n1nc(cc(c(C)c2)N)c2n1 T9821
CCC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1 T9827
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(ccc23)[N+]([O-])=O)c2ccccc12 T9831
O=C(NCC1(N(C)C)CCOCC1)C2=CC(OC)=C(OCCCC)C(OC)=C2.[H]Cl T9833
CN1CCNC(=CC(=O)c2ccc(C)cc2)C1=O T9834
NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)c3cc(=O)[nH]c4ccccc34)c2)cc1 T9835
CN1C2=CC=CC=C2N=C1N/N=C(C3=NC=CC=C3)\C T9836
Cc1cccc(-c2c(-c3cn4ncnc4cc3)nc(CNc(cccc3)c3Br)[nH]2)n1 T9837
CCN(c(cccc1)c1N=C1NC)C1=O T9840
Cc1cnc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)s1 T9849
C[C@H](C1)[C@@H]([C@H](CC2)[C@](C)(CC3)[C@H]2OC(C)=O)[C@H]3[C@@H](CC2)C1=CC2=O T9851
Cc([nH]nc1C)c1-c(cc1Cl)cc(Cl)c1Nc(cccc1)c1C(O)=O T9852
CC(C)(c(ccc(C(NCc(c(F)cc(F)c1)c1F)=O)c1)c1N1Cc(c(F)ccc2)c2Cl)C1=O T9853
[N+]12=CC3=CC4=C(OCO4)C=C3C=C1C5=CC6=C(OCO6)C=C5CC2.[Cl-] T9862
CCN(CC)CCNC(=O)C1=CC=CC=C1I T9869
CC(C)(N)CC12CC3CC(CC(C3)C1)C2 T9874
COC1=CC(CN2CCN(CC2)C2=CC=C(F)C=C2)=CC(OC)=C1OC T9876
ClC1=CC=CC(COC2=CC=CC=C2C(=C)N2C=CN=C2)=C1 T9878
CC1=C(C#N)C(O)=NC(=O)\C1=C/c1ccc(o1)-c1ccccc1 T9880
Cl.CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O T9881
CC1=CC=C(O1)N1CCN(CC1=O)C(=O)C=C T9884
CCOC(c1c(C)nc(-c2cc(C#N)ccc2)n1OCc(cc1)ccc1C#N)=O T9887
O=C(NCC1=CC=CC(N)=C1)C2=CN=C(OC3=CC=C(OCC4=CC=CC(F)=C4)C=C3)C=C2 T9888
CC1=C(C)C2=C(N=CN=C2S1)N1CCC(CC1)C(N)=O T9889
O=C(NC(C1=CC=C2C=CC=NC2=C1O)C3=CC=C(OC)C=C3)CCC4=CC=CC=C4 T9890
Clc1cccc(NC(=O)CCn2nc(-c3ccccc3)c3ccccc3c2=O)c1 T9891
CCc1ccccc1OCC(=O)Nc1ccc(cc1C)N1CCCC1 T9892
CS(=O)(=O)OCCOc1ccccc1OCC(F)(F)F T9894
CCCCCCCCc1ccccc1 T9895
COc1ccc2cccc(CC#N)c2c1 T9896
COc1ccc2cccc(CC(O)=O)c2c1 T9897
Cl.COc1ccc2cccc(CCN)c2c1 T9898
C[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(F)c(N)nc1=O T9899
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C TC0008
CC(C)[C@@](C(C)O)(C(=O)OC[C@H]1CC[N+]2([C@H]1CCC2)[O-])O TC0014
COc1c(O)ccc2c(OC)c3ccoc3nc12 TC0017
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1 TC0019
C1CC2=NC3=CC=CC=C3CN2C1 TC0022
[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C[C@]12C)OC(C)=O TC0025
C[C@@]12[C@@H](OC(C3=CC=CC=C3)=O)CC[C@@]1([H])[C@]4([H])CCC5=CC(CC[C@]5(C)[C@@]4([H])CC2)=O TC0026
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C TC0027
CC(C)CC(O[C@H]([C@@H]1OC(C)=O)C(C)(C)Oc(cc2)c1c(O1)c2C=CC1=O)=O TC0028
C1CN2C(=NC3=CC=CC=C3C2=O)[C@H]1O TC0039
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@]12C TCA2511
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O TCO2745
CC(C)=CCC\C(C)=C/COC(C)=O TCP2830
Cc1ccc(C=O)o1 TCP2934
C[C@@H]1CCC(=C(C)C)C(=O)C1 TCS0102
CCCCCc1ccco1 TCS0324
COc1ccc(cc1)C(O)=O TCS0862
COC(=O)c1c(C)cc(O)c(C)c1O TCS1372
CC(=O)\C=C\c1ccccc1 TCS1554
COc1ccc(cc1OC)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC TCS1704
CC(=O)CCc1ccccc1 TCS1709
CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1 TCS1772
CC(=O)c1ccccc1O TCS1856
O=CCc1ccccc1 TCS1857
OC(=O)Cc1cc(O)ccc1O TCS2070
CC(=O)c1cc(O)ccc1O TCS2170
[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCc3c1[nH]c1ccccc31)C2 TCS2185
COc1c(OCC(O)C(C)=C)ccc2c(OC)c3ccoc3nc12 TCS2336
OC(=O)c1cc2ccc(O)cc2oc1=O TD0073
Oc1ccc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1 TD0074
Cc1c(CC(O)=O)c(=O)oc2cc(O)ccc12 TD0075
COc1ccc2cc(C(O)=O)c(=O)oc2c1 TD0077
COc1ccc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1 TD0078
NCCNc1c(cccc2S(O)(=O)=O)c2ccc1 TD0081
O=S(C1=C2C=CC=C(NCCN)C2=CC=C1)([O-])=O.[Na+] TD0082
Oc1cc2ccccc2c(O)c1 TD0092
O=S(C1=CC(O)=C2C(/N=C/C3=CC=CC=C3O)=CC(S(=O)(O)=O)=CC2=C1)(O[Na])=O TD0094
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)N=C=S)c3ccc(cc3[o+]c2c1)N(C)C.CN(C)c1ccc2c(-c3cccc(N=C=S)c3C([O-])=O)c3ccc(cc3[o+]c2c1)N(C)C TD0100
O=C(Nc1cc2cccnc2cc1)ON(C(CC1)=O)C1=O TD0101
c(cc1)ccc1-c1c(cccc2)c2c(-c2ccccc2)o1 TD0102
CC1=CC2=NC3=C([N+](C4=CC=CC=C4)=C2C=C1N)C=C(N)C(C)=C3.[Cl-] TD0103
[Cl-].CNc1ccc(cc1)C(=C1CCC(CC1)=[N+](C)C)c1ccc(cc1)N(C)C TD0104
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O THS1455
COc1c(O)cc2oc(=O)ccc2c1OC TJA2448
C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O TJO2691
C[C@H](N)C(O)=O TJO2729
CSCCC(N)C(O)=O TJO2742
OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O TJO2758
O.OC1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C([O-])=O TJO2795
COc1ccc2c(C)cc(=O)oc2c1O TJP2865
CC(C)CC(=O)O[C@@H]1OC=C(COC(C)=O)C2=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]3(CO3)[C@@H]12 TJP2872
CCOC(=O)C1=CCCNC1 TJS0123
C[C@@H]1CCC[C@]2(C)CC[C@H](C[C@@H]12)C(C)(C)O TJS0161
CCOC(=O)c1cc2ccccc2oc1=O TJS0311
Cc1cc(=O)oc2c(c(O)ccc12)[N+]([O-])=O TJS0312
Cc1cc(=O)oc2cc(O)cc(O)c12 TJS0314
Cc1cc(=O)oc2c(O)c(O)ccc12 TJS0315
Cc1cc(=O)oc2ccc(O)cc12 TJS0318
Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1O TJS0328
Cc1cc(=O)oc2cc(O)c(O)cc12 TJS0338
OC(=O)c1cc2ccccc2oc1=O TJS0339
Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F TJS0341
Oc1ccc2c(cc(=O)oc2c1O)-c1ccccc1 TJS0368
COc1ccc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 TJS0387
OCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O TJS0405
OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)[C@H](O)[C@@H](O)[C@@H]1O TJS0851
COc1cc2oc(=O)cc(-c3ccccc3)c2cc1O TJS0856
COc1cc(ccc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC TJS1159
C1CNCCNCCNCCN1 TJS1183
[H][C@@]12CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2(C)C TJS1382
COC[C@H]1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)([C@H]1CC3)C(O)=O TJS1942
CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O TJS2190
N[C@@H](CNC(=O)C(O)=O)C(O)=O TL0001
CC1=CCC2CC1C2(C)C TL0003
COC(C=Cc1cc(OC)c(O)cc1)=O TL0004
OC([C@@H]([C@H](C(O)=O)OC(C=Cc1cc(O)c(O)cc1)=O)OC(C=Cc2cc(O)c(O)cc2)=O)=O TL0006
Oc1ccc(cc1)\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1 TL0007
COc1cc(O)cc(CCc2ccc(OC)c(O)c2)c1 TL0008
COc1cc(\C=C\CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TL0009
COc1cc(\C=C\CO)ccc1O TL0010
CC1OCC23CC4(O)C1C1=C(CCN1C4=O)OCCCOC(=O)C2(C)O3 TL0011
CC(C)[C@@H]1CC[C@@](C)(C=C)[C@H](C(C)=C)C1=O TL0012
CC1(C)O[C@@H]1COc1c2occc2cc2ccc(=O)oc12 TL0013
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CC[C@@H]12 TL0014
Oc1coccc1=O TL0015
O=S(/C=C/CCN=C=S)C TL0016
COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23 TL0017
CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 TL0018
COc1c(C)c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1C TMA0017
COc1cc(cc(O)c1O)[C@H]1Oc2c(OC)cc3ccc(=O)oc3c2O[C@@H]1CO TMA0033
O=C1OC2(CCC22OC(=O)C=C2)C=C1 TMA0053
CC(C)[C@H]1CC[C@H](C)CC1=O TMA0087
OC1CCNC(=O)C1Cl TMA0098
CC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(O)c2c1occ(-c1ccc(O)cc1)c2=O TMA0127
C\C(\C=C\[C@]1(O)[C@]2(C)CO[C@@]1(C)C[C@H](O)C2)=C\C(O)=O TMA0132
CC(C)(O)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1 TMA0164
COc1cc2O[C@@H](CC(=O)c2c(O)c1C)c1ccc(O)cc1 TMA0260
COc1cc2OCC(=Cc2c(OC)c1CC=C(C)C)c1ccc(O)cc1O TMA0291
C[C@@H]1Cc2cccc(O)c2C(=O)O1 TMA0343
COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21 TMA0394
CC1COC2=C(C(=O)c3ccc4c(C)cccc4c3C2=O)C1(C)CO TMA0395
C1NCC2CCCCC12 TMA0432
C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2 TMA0478
[H][C@]1(O[C@]2(NC[C@@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] TMA0507
CCOC(=O)Cc1ccc(O)cc1O TMA0518
COc1ccc(CC2COc3cc(O)cc(O)c3C2=O)cc1O TMA0531
OC[C@H]1O[C@@H](Oc2ccc(C=C)cc2)[C@H](O)[C@@H](O)[C@@H]1O TMA0535
CC(=O)c1ccccc1C(O)=O TMA0536
OC(CCCCCCCC(CCC(O)=O)=O)=O TMA0537
COc1cc(OC)c(C(C)=O)c(OC)c1 TMA0588
CC(C)=CCc1cc(ccc1O)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O TMA0593
O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1cc(O)c(O)c(O)c1 TMA0600
COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(O)c(O)c2)ccc1O TMA0627
C[C@H](CC[C@@H](O)C(C)=C)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(C)=O TMA0683
C[C@@]12C[C@H](OC(=O)[C@H]1C[C@@H]1OC(=O)[C@H]3C[C@H](O)C[C@@H]2C13)c1ccoc1 TMA0692
COc1c(O)cc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O TMA0716
COc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1O TMA0746
CC(=O)c1cc(O)c2OC(C)(C)C=Cc2c1 TMA0750
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1 TMA0763
CCCCCC=CC(OC(C)=O)C#CC#CC(O)C=C TMA0778
O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3 TMA0805
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]12C TMA0892
C[C@H](CCC=C(C)C)C1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C TMA0896
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@]5(C)C(OC5=O)[C@H](O)[C@]4(C)CC[C@@]32C)C1(C)C TMA0925
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C TMA0985
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O TMA1004
C[C@H](CC\C=C(/C)C(O)=O)C1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C TMA1008
C[C@H](CCC=C(CO)CO)C1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C TMA1012
COc1cc(C=CC(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O TMA1122
OC(=O)Cc1ccc(O)cc1O TMA1130
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O TMA1182
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1O TMA1241
CCC(C)C1C(=O)NC(C(=O)N1)C TMA1403
Oc1ccc2C(=O)C(COc2c1)=Cc1ccc(O)c(O)c1 TMA1570
CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O TMA1644
CC(=O)OC[C@]1(C)CC[C@@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12[C@H](O)[C@@H](CC[C@@H]31)C(=C)C2=O TMA1742
CC(C)[C@@H](C)\C=C\[C@@H](C)C1CC[C@@H]2[C@]1(C)CCC1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3 TMA1743
OC[C@H]1O[C@@H](Oc2cccc3CC(OC(=O)c23)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TMA1777
C[C@@H](O)\C=C\[C@H]1C(CO)=CC(=O)CC1(C)C TMA1778
OC[C@H]1O[C@@H](Oc2ccc3C(=O)C(COc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TMA1841
OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O TMA1890
Cl.CN1CCc2cc3OCOc3cc2C(=O)Cc2ccc3OCOc3c2C1 TMA1944
OC(CCc1ccccc1)CC(=O)c1ccccc1 TMA2008
C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]2C1 TMA2106
C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCC1=CCNC1=O TMA2120
CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@](C)(O)C2[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TMA2212
COc1c(cc(O)c2c1CC[C@H]1C(C)=C(CC[C@]21C)C(O)=O)C(C)C TMA2235
Oc1ccc2ccc(=O)oc2c1-c1c(O)ccc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc12 TMA2253
CO[C@@H]1[C@]2(O)COC3=CC(=O)C=C[C@]13c1cc(O)c(O)cc1C2 TMA2282
Oc1ccc(Cc2ccc(O)cc2)cc1 TMA2386
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1 TMA2394
CC(C)=CCc1c(O)cc(\C=C\c2ccc(O)cc2O)cc1O TMA2415
COc1cc(O)cc2OC[C@H]3[C@@H](Oc4c3ccc(O)c4CC=C(C)C)c12 TMA2418
CC(C)=CC[C@@H]1C[C@H](O)c2ccccc2C1=O TMA2419
[Na+].[Na+].OC1C(O)C(OC1COP([O-])([O-])=O)n1ccc(=O)[nH]c1=O TMA2440
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 TMA2474
CC(=O)CC(C)(C)N TMA2536
CCC[C@@H]1[C@@H](CCC)[C@]2(OC(=O)C3=C2CCC=C3)[C@@]11OC(=O)C2=C1CCC=C2 TMA2544
COc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(O)c(O)c1 TMA2563
O[C@@H]1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(O)c(O)c1 TMA2576
CC(C)CC1NC(=O)C2CCCN2C1=O TMA2613
CC(C)CC1NC(=O)C(C)NC1=O TMA2620
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O TMO2681
OCCCCCCCCCC(O)=O TMO2685
Oc1ncnc2ccccc12 TMO2713
Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 TMO2752
O=C1c2ccccc2C(=O)c2ccccc12 TMO2787
OC(=O)Cc1cccc2ccccc12 TMO2790
CS(O)(=O)=O.C[C@@H](CO)NC(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 TMS0418
CO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O TMS0719
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 TMS1743
[Na+].[Na+].OC1C(COP([O-])([O-])=O)OC(C1O)n1cnc2c1nc[nH]c2=O TMS1830
Oc1ccc(C(CC2=O)Oc3c2c(O)cc(O)c3)cc1 TMS2171
CC(=CCNC1=NC=NC2=C1NC=N2)CO TMS2179
C\C(CO)=C/CNc1ncnc2[nH]cnc12 TMS2181
C\C(CO)=C/CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O TMS2182
[H][C@]12CC[C@](C)(C(=O)C1)C2(C)C TMS2262
OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc4ccc(=O)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O TN1001
COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1cc(O)cc(O)c1 TN1002
C[C@H](N)C(O)=O TN1003
COc1c(O)ccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O TN1004
OC[C@H]1O[C@@H](Oc2ccc(COC(=O)CC(O)(CC(O)=O)C(O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN1005
C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 TN1006
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@@]34C)[C@@]1(C)CC[C@@H](O)C2(C)C TN1007
OC[C@H]1O[C@@H](Oc2cc3occc3cc2\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O TN1008
[H][C@@]12CO[C@H](c3cc(OC)c(OC)c(OC)c3)[C@]1([H])CO[C@H]2c1cc(OC)cc(OC)c1 TN1009
C[C@@H]1O[C@@H](Oc2cc(O)c3c(oc(-c4ccc(O)cc4)c(O)c3=O)c2O)[C@H](O)[C@H](O)[C@H]1O TN1011
O[C@H]1CCCN[C@@H]1CC(=O)Cn1cnc2ccccc2c1=O TN1012
Cl.Cl.O[C@H]1CCCN[C@@H]1CC(=O)Cn1cnc2ccccc2c1=O TN1012L
COc1ccc2ccc(=O)oc2c1C[C@@H]1OC1(C)C TN1015
COc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(C)cc3C(=O)c2c1 TN1017
COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C TN1019
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@]3(O)[C@H](O)C=C(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O TN1020
OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CC(O)OC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O TN1021
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H](CC(O)=O)[C@H]2C=C)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O TN1022
CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O TN1023
CC(=O)OCc1cocc2c(C=O)ccc12 TN1024
CN1CC[C@@]23[C@@H]4[C@@H]5[C@H](CC(=O)N4c4c2cccc4O)OCC=C(C1)[C@@H]5CC3=O TN1026
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 TN1027
Oc1ccc(CCNC(=O)\C=C\c2ccc(O)cc2)cc1 TN1030
CC(C)=CCCC([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O TN1031
[H][C@@]12C[C@H](\C(=C\OC)C(=O)OC)\C(CN1CCc1c2[nH]c2ccccc12)=C/C TN1032
COc1ccc(cc1)-c1coc2cc(O)c(OC)c(O)c2c1=O TN1035
COc1cc-2c(CC[n+]3cc4c5OCOc5ccc4cc-23)cc1O TN1037
COc1ccc(cc1OC)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1ccc(OC)c(OC)c1 TN1038
COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O TN1039
COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1 TN1040
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O TN1041
OC(=O)C[C@@H]([C@@H]1[C@H](OC(=O)c2cc(O)c(O)c(O)c12)C(O)=O)C(O)=O TN1042
COc1cc(O)c2c(c1)oc1ccc(OC)c(O)c1c2=O TN1045
COc1ccc2ccc(=O)oc2c1CC(=O)C(C)=C TN1046
C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C TN1047
COc1c2occc2c(OCC=C(C)C)c2ccc(=O)oc12 TN1048
[H][C@@]12OC(C)(C)OCC1=C[C@@]1([H])[C@H]3[C@@H](C[C@@H](C)[C@@]4(C=C(C)[C@H](O)C24O)C1=O)C3(C)C TN1049
COc1ccc(Cc2coc3c(C)c(O)c(C)c(O)c3c2=O)cc1 TN1050
O[C@@H]1C[C@](C[C@@H](O)[C@H]1O)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O TN1051
CC(=O)CCc1ccc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc1 TN1052
OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4cc(CO)cc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O TN1053
COc1cc(O)ccc1CCC(=O)c1ccc(O)cc1 TN1054
COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)[C@@H](C)C(C)=C TN1055
[Cl-].Oc1ccc(cc1)-c1[o+]c2cc(O)cc(O)c2cc1O TN1058
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC\C=C(/C)CO)[C@@]1(C)CCC(=O)C2(C)C TN1060
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC\C=C(/C)CO)[C@@]1(C)CC[C@H](O)C2(C)C TN1061
[Cl-].COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O TN1062
CN1CC[C@@]23[C@@H]4Nc5ccccc5[C@]2(CCN4C)[C@@H]1Nc1ccccc31 TN1063
OC(=O)c1cc2OCOc2c2c3cc(O)ccc3cc([N+]([O-])=O)c12 TN1064
CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1\C(=C/OC)C(=O)OC TN1065
COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(O)cc2o1 TN1068
Oc1ccc2c3oc4cc5OCOc5cc4c3c(=O)oc2c1 TN1069
COc1cc(O)cc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O TN1070
COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)(CC(O)=O)C1CC(O)=O TN1073
[H][C@@]12CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C TN1077
[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)C(=C)C\C(=C\C)C(=O)O1)[C@]23[H] TN1078
[H][C@@]12CC(C)=C[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@H](CC(=C1)C(=O)O2)OC(=O)C(C)=C TN1079
CO\C=C(/[C@H]1C[C@H]2N(CCc3c2[nH]c2ccccc32)C[C@@H]1C=C)C(=O)OC TN1081
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@@H]([C@@H](CCC=C(C)C)C(O)=O)[C@H](O)C[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C TN1083
Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O TN1084
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C TN1085
CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O TN1086
[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3cc1C2 TN1087
COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC TN1088
C\C=C\C=C\C=C\CC\C=C\C(=O)NCC(C)(C)O TN1089
C\C=C\C=C\C=C/CC\C=C\C=C\C(=O)NCC(C)(C)O TN1090
COc1cc2CCN(C)c3cc4ccccc4c(c1OC)c23 TN1091
COc1c(O)cc2CCN(C)[C@@H]3Cc4ccccc4-c1c23 TN1092
[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C TN1097
CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C TN1099
CC(=O)c1c(C)cc2cccc(O)c2c1O TN1100
COc1cc2c(O)c3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC TN1103
[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O TN1106
CC1(O)C[C@@H](O)[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O TN1110
[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]1(C)CCC(=C)[C@@H](C)[C@]21[H] TN1111
C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@H](O)[C@H]1O TN1113
CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C TN1114
COc1ccc(cc1OC)[C@H]1[C@H](C)[C@H](C)C(=O)c2cc(O)c(OC)cc12 TN1116
COc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@@H]1C)c1ccc(OC)c(OC)c1 TN1117
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O TN1118
CC(C)=CCc1c(O)ccc2ccc(=O)oc12 TN1120
CCCC\C=C/CCCCCCCc1cc(=O)c2ccccc2n1C TN1121
COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)cc1 TN1126
[H][C@@]12C[C@@]3([H])C(C)=C[C@H](O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4(O)[C@@H](O)C(=O)O2 TN1128
[H][C@]1(C[C@H](C)C(=O)O1)[C@@H]1CC[C@]23N1CCCCC2=C(C)C(=O)[C@]31OC(=O)C(C)=C1OC TN1129
[H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]13[C@@]4(O)[C@@H](O)C(=O)O2 TN1130
C[C@]12C[C@@H](OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@@H]2OC(=O)[C@@]1(O)C=C2)c1ccoc1 TN1133
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O TN1134
C/C=C(/C)\C(O[C@@H](CC1=C[C@@H](C/C(/C)=C/[C@H]2OC3=O)OC1=O)[C@H]2C3=C)=O TN1135
CC(C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O TN1137
COc1cccc2c(OC)c3ccoc3nc12 TN1138
CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O TN1141
O=c1n2CCc3cc4OCOc4cc3-c2cc2ccc3OCOc3c12 TN1142
CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O TN1143
CC1(C)[C@H]2[C@H](O)OC[C@@]22[C@H](C[C@@H]1O)OC(=O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3=O TN1144
O[C@@]1(Cn2cnc3ccccc3c2=O)C[C@@H]2NCCC[C@@H]2O1 TN1145
CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1 TN1146
O[C@H]1[C@H](O)[C@@H](O)c2c(oc(CCc3ccccc3)cc2=O)[C@@H]1O TN1147
OC[C@H]1O[C@@H](Oc2c(\C=C/C(O)=O)ccc3occc23)[C@H](O)[C@@H](O)[C@@H]1O TN1148
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@@]34C)[C@@]1(C)CCC(=O)C2(C)C TN1153
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 TN1154
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1O TN1155
CC(C)[C@@H]1CC[C@@H](C)CC1=O TN1157
C1CCN2CC3CC(CN4CCCCC34)C2C1 TN1158
CO[C@@H]1C[C@@H](C)CC(=O)c2c(C)coc2C\C(C)=C\1 TN1159
COc1ccc2oc3cc(OC)c(OC)c(OC)c3c(=O)c2c1 TN1161
CCCCOC(=O)c1ccccc1C(=O)OCCCC TN1162
Oc1ccccc1C(=O)C=Cc1ccccc1 TN1163
COc(ccc(/C=C/C(N1CCCCC1)=O)c1)c1OC TN1164
CC(C(c(cc1)cc(OC)c1O)O)Oc(c(OC)cc(CC=C)c1)c1OC TN1165
COC(=O)c1c(CC=C(C)C)c(O)c2ccccc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN1169
O=C(/C=C/c1ccccc1)N1CCCC1 TN1170
CCCCCC(=O)CC(=O)\C=C\c1ccc(O)c(OC)c1 TN1171
Cc1ccc2C(=O)c3ccccc3C(=O)c2c1O TN1172
Oc1cccc2c1nc1-c3[nH]c4ccccc4c3CCn1c2=O TN1173
CCCCCCCc1cc(=O)c2ccccc2n1C TN1174
CCCCCc1cc(=O)c2ccccc2n1C TN1175
CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)[N+]([O-])=O TN1176
[H][C@@]12CC[C@@H]3C[C@]1(C[C@]3(O)CO)CC[C@@]1([H])[C@@]2(C)CCC[C@@]1(CO)C(O)=O TN1177
[H][C@]12CC[C@@]34C[C@@H](C[C@H](O)[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(O)=O)C(=C)[C@H]4O TN1178
[H][C@@]12CCC3=C(CC[C@]3(C)[C@@]1(C)CCC1C(C)(C)C(=O)CC[C@]21C)[C@H](C)C[C@H](O)[C@H]1OC1(C)C TN1179
CC(C)c1cc2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)c2c(O)c1O TN1181
[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C TN1182
[H][C@@]12CC[C@]3(C)[C@]([H])(CCC4=C5CC(C)(C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C TN1188
[Cl-].COc1ccc2c(C)c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC TN1189
[H][C@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@H](C)[C@](O)([C@@H](O)C(=O)O1)[C@]23C TN1190
[H][C@@]12CCC3=C(CC[C@]4(C)[C@@H]([C@@H](CCC=C(C)C)C(O)=O)[C@H](O)C[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C TN1191
[H][C@@]12Cc3c([nH]c4ccccc34)[C@]3(O)C[C@@H](\C(CN13)=C/C)[C@@]2(CO)C(=O)OC TN1192
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3)C(O)=O TN1194
[H][C@]12C\C=C(CO)/[C@@H](O)[C@]3([H])[C@@H](O)[C@@H](C)C[C@]3(O)C(=O)\C(C)=C\[C@@]1([H])C2(C)C TN1196
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(CO)CC[C@H](O)C2 TN1198
[H][C@@]12O[C@]11[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C=O)[C@@]3([H])CC[C@]1(C)[C@H]([C@H]2OC(C)=O)c1ccc(=O)oc1 TN1199
[H][C@@]12O[C@]11[C@]3([H])CC[C@]4(O)C[C@@H](O)CC[C@]4(C=O)[C@@]3([H])CC[C@]1(C)[C@H]([C@H]2OC(C)=O)c1ccc(=O)oc1 TN1200
CC1=CC[C@H]2C[C@@H]1C2(C)C TN1202
COc1cc2c3c(oc(=O)c4cc(O)c(OC)c(oc2=O)c34)c1OC TN1203
CC(C)=CCc1c(O)cc(O)c2c1occ(-c1ccc(O)cc1O)c2=O TN1204
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1 TN1205
Oc1cc(O)c(C=O)c(O)c1 TN1206
Oc1ccc-2c(CCc3cc(O)cc(O)c-23)c1 TN1207
NC1=C(C(O)=O)C(=O)c2ccccc2C1=O TN1208
COc1c(O)ccc2C(=O)c3ccccc3C(=O)c12 TN1209
COc1c(O)cc2CCN(C)C3Cc4ccccc4-c1c23 TN1210
Cc1cc2C(=O)c3ccccc3C(=O)c2cc1O TN1211
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1 TN1212
OCc1ccc2C(=O)c3ccccc3C(=O)c2c1 TN1213
CO[C@@H]1C[C@@H](C)[C@@H](OC(C)=O)C(=O)c2c(C)coc2C\C(C)=C\1 TN1214
COc1cc(O)ccc1[C@@H]1CC(=O)c2c(OC)cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O1 TN1215
COc1cc(O)ccc1C(=O)C=Cc1ccc(O)cc1 TN1217
C[C@]12CC(=O)C3=C([C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)C(=O)C[C@@H]2C(=C)CCC(O)=O TN1218
[H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)C[C@H](O)C3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O)[C@]1(C)CC[C@@H](O1)C(C)(C)O TN1220
[H][C@@]12CC(C)(C)CC[C@]1(CO)[C@@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C TN1223
[H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CCC3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O)[C@](C)(O)CCCC(C)(C)O TN1225
C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C TN1227
C[C@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C TN1228
[H][C@@]12CC(C)(C)CC[C@@H]1CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C TN1231
COc1cc(OC)c2C(=O)C[C@@H](Oc2c1)c1ccccc1 TN1232
CCC(C)(C#N)O[C@@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O TN1233
COc1c(O)cc2c3c1oc(=O)c1cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(oc2=O)c31 TN1234
Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O TN1236
COc1cc(cc(O)c1O)C(O)=O TN1237
CC(C)(O[C@H]1[C@@H](C2)O)O[C@@H]1C=C2C(O)=O TN1238
Cc1c(O)cc(cc1O)C(O)=O TN1239
COc1cc(O)c(CC=C(C)C)c2O[C@@H]([C@@H](O)C(=O)c12)c1ccc(O)cc1 TN1240
COc1c(O)cc2c3c1oc(=O)c1cc(O)c(OC)c(oc2=O)c31 TN1242
Nc1cc2ccccc2oc1=O TN1243
COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 TN1244
COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)cc1 TN1245
Oc1ccc2C(=O)[C@H](Cc3ccc(O)c(O)c3)COc2c1 TN1246
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O TN1248
[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O TN1249
COC1C[C@]23N(CC4O[C@@]24C=C1)CCCc1cc(OC)c(OC)cc31 TN1250
CC(C)=CCC\C(C)=C\Cc1c(O)ccc(c1O)-c1oc2cc(O)cc(O)c2c(=O)c1CC=C(C)C TN1252
Cc1c(O)cc2C(=O)c3c(O)c(O)ccc3C(=O)c2c1O TN1253
COc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O TN1254
CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)C(O)=O TN1257
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(O)=O TN1258
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 TN1261
COc1cc(C=CC(=O)O[C@H]2C[C@](O)(C[C@H](O)[C@@H]2O)C(O)=O)ccc1O TN1262
COc1cccc(CCc2cc(O)cc(OC)c2)c1 TN1264
COc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O TN1265
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1 TN1266
CCCCCC(O)CC TN1267
[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@]4(C)[C@H](C[C@@H](O)[C@@]34C)C(C)(O)CC3OC3=O)[C@@]1(C)CC[C@H](O)C2(C)C TN1268
Cc1c(O)cc2OC[C@@H](Cc3ccc(O)cc3)C(=O)c2c1O TN1270
COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 TN1271
COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OC)cc2O1 TN1272
Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 TN1273
Oc1ccc(CC=C)cc1O TN1274
COc1ccc(cc1)C(=O)OCCc1ccc(O)cc1 TN1275
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 TN1276
COc1ccc(CCc2cc(=O)c3[C@H](O)[C@H](O)[C@@H](O)C(O)c3o2)cc1 TN1277
COc1ccc(cc1)-c1coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc2c1=O TN1278
CO[C@@H]1[C@@H](CO)O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O TN1279
CO[C@@H]1[C@@H](CO)O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O TN1280
OC[C@H]1O[C@@H](Oc2ccc(\C=C/C(O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN1281
COc1cc(ccc1O)\C=C\C(=O)O[C@H]1[C@H](O)C[C@@](O)(C[C@H]1O)C(O)=O TN1282
CC(C)(O)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1 TN1284
COc1cc(cc(O)c1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1 TN1287
Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1 TN1288
CCCCCCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OCC TN1289
O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)C(O)=O TN1290
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1 TN1291
CC(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 TN1292
COc1cccc2OC(CC(=O)c12)c1ccccc1 TN1293
COc1cc(C=O)cc2OCOc12 TN1294
O[C@@H]1C=C(C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H]1O)C(O)=O TN1295
COc1cc(C=CC(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(O)=O)ccc1O TN1296
COc1c2C[C@H](Oc2cc2oc(C)cc(=O)c12)C(C)(C)O TN1297
COc1cc2c(cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc(O)cc1)c2=O TN1298
Oc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O TN1299
COc1cc2oc(CCc3ccccc3)cc(=O)c2cc1OC TN1300
CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O TN1301
CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O TN1302
CN1C(CC(C)=O)c2c3OCOc3ccc2-c2ccc3cc4OCOc4cc3c12 TN1303
Cc1c(O)c(C=O)c(O)c2C(=O)C(Cc3ccc4OCOc4c3)COc12 TN1304
CCOC1N(C)c2c(ccc3cc4OCOc4cc23)-c2ccc3OCOc3c12 TN1305
Oc1ccc2oc(CCc3ccccc3)cc(=O)c2c1 TN1307
Oc1ccc2OC(CC(=O)c2c1)c1ccccc1 TN1308
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)c(O)c(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN1312
Oc1ccc(cc1)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O TN1314
OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN1315
Cc1c(O)cc2C(=O)c3cc(O)ccc3C(=O)c2c1O TN1316
OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](O[C@@H]3OC=C4[C@@H](CCOC4=O)[C@H]3C=C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O TN1319
O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@H]1O TN1320
[H][C@]12[C@H](O[C@@H]3O[C@H](COC(=O)\C=C\c4ccccc4)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]1(O)[C@H](O)C[C@]2(C)O TN1321
CC1=CCC[C@@H]2[C@@](C)(\C=C\C3=CC(=O)OC3)[C@@](C)(O)[C@@H](O)[C@H](OC(=O)c3cccnc3)[C@@]12C TN1323
CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1 TN1325
CC[C@H](C=C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C TN1327
Cc1c(CC(O)=O)c(=O)oc2cc(N)ccc12 TN1328
CCO[C@@H]1[C@H]2OC(=O)[C@]3(CCCC(C)(C)[C@H]23)c2c(O)c(O)c(cc12)C(C)C TN1329
CCO[C@H]1C[C@H]2[C@@H]([C@H](C)O1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC TN1330
COC1C[C@H]2[C@@H]([C@H](C)O1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC TN1331
COc1ccc(cc1)-c1coc2cc(OC)cc(O)c2c1=O TN1333
[H][C@@]12[C@@H]3OC(=O)[C@@]1(CCCC2(C)C)c1c(O)c(O)c(cc1[C@@H]3OC)C(C)C TN1334
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C TN1338
[H][C@@]12C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@H](CC[C@]3(O)[C@]1([H])[C@@H](O)C2)c1ccc(=O)oc1 TN1339
O[C@@H]1Cc2c([nH]c3ccccc23)-c2nc3ccccc3c(=O)n12 TN1340
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O TN1341
[H][C@@]12C[C@H](OC(C)=O)[C@]3([H])[C@H]4C[C@@H](C[C@@]3([H])[C@]1(C)C[C@H](OC2=O)c1ccoc1)OC4=O TN1342
CC(C)=CCC\C(C)=C\COc1c2occc2cc2ccc(=O)oc12 TN1343
COc1ccc(cc1OC)-c1oc2c(O)c(OC)c(OC)c(OC)c2c(=O)c1OC TN1344
COc1c2ccoc2c(O)c2oc(=O)ccc12 TN1345
COc1ccc2cc3-c4cc(OC)c(OC)cc4CCn3c(=O)c2c1OC TN1346
CC(C)=CCc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O TN1347
CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3O)c(=O)c2c1O TN1348
COc1c(O)cc2oc3cc4OC(C)(C)C=Cc4c(O)c3c(=O)c2c1CC=C(C)C TN1349
COc1c(C)c2C(=O)C[C@H](C)Cc2c2c(C)coc12 TN1350
COc1ccc(C[C@H]2CO[C@@H]([C@H]2COC(C)=O)c2ccc(OC)c(OC)c2)cc1OC TN1351
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1 TN1352
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCc1ccccc1 TN1353
COc1cc2ccnc3cc[nH]c(c1OC)c23 TN1354
COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OC(C)=O)c2cc3OCOc3cc12 TN1357
COc1cc2O[C@H]3OC=C[C@@H]3c2c2oc(=O)c3C(=O)OCCc3c12 TN1359
COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O TN1360
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 TN1361
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O TN1362
C\C=C1\CN2[C@H]3C[C@]45[C@H]([C@@H]2C[C@@H]1[C@@H]3C4=O)N(C)c1c5cccc1O TN1363
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C TN1364
CCC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O TN1365
CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1 TN1367
[H][C@@]12[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@H]4OC4(C)C)C(=O)C[C@]3(C)[C@@]1(C)CCC1C(C)(C)C(=O)CC[C@]21C TN1368
CC(C)=CCc1c2ccoc2c(O)c2oc(=O)ccc12 TN1369
[Na+].[Na+].COc1cc(c(C)cc1N=Nc1c(O)ccc2cc(ccc12)S([O-])(=O)=O)S([O-])(=O)=O TN1370
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OCc(cc1C(c2cccc(O)c22)=O)cc(O)c1C2=O TN1371
[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C TN1372
C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1 TN1373
CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O TN1375
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])C[C@@H](O)CC[C@]12C TN1377
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O TN1379
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 TN1380
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 TN1381
CC(C)(O)[C@@H]1Cc2c(O1)cc1oc(CO)cc(=O)c1c2O TN1384
CCCC=C1OC(=O)C2=C1CCC1C(CCC)C3(OC(=O)C4=C3CCC=C4)C21 TN1385
CC(C)([C@H]([C@@H](c(c(OC)c1)cc(C=C2)c1OC2=O)O)OC(/C(/C)=C\C)=O)O TN1386
COc1cc2oc(=O)ccc2cc1[C@@H](O)[C@H](OC(=O)C(\C)=C\C)C(C)(C)O TN1387
COc1cc2oc(=O)ccc2cc1[C@@H](OC(=O)C(\C)=C/C)[C@H](O)C(C)(C)O TN1388
COc1cc2[C@H](OC(=O)C(\C)=C/C)[C@@H](C)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN1389
CC(=C)[C@@H]1Cc2c(O1)ccc1ccc(=O)oc21 TN1391
COc(cc(C[C@@H]1[C@@H](Cc(cc2)cc(OC)c2O)COC1)cc1)c1O TN1392
C1Oc2cc3CCN[C@@H]4Cc5ccccc5-c(c2O1)c34 TN1393
CN1CC(C(O)=O)=CCC1 TN1398
CC1=C(O)C(=O)c2c(C)ccc(O)c2C1=O TN1400
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O TN1403
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C TN1404
C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O TN1405
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 TN1406
COc1cc2oc(c(CC=C(C)C)c(=O)c2c(O)c1C=CC(C)C)-c1ccc(O)cc1O TN1407
COC1=CC(=C(C=C1C=O)OC)OC TN1408
COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23 TN1409
CC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O TN1410
COc1ccc([C@@H]2COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@@H]2O)c(O)c1OC TN1411
OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O TN1412
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O TN1413
COc1c(O)c2C(=O)c3c(OC)c(O)c(C)cc3C(=O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN1414
COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)=C TN1415
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O TN1416
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12 TN1418
COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O TN1419
OC[C@H]1O[C@@H](Oc2c(O)cc3oc(cc(=O)c3c2O)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O TN1426
COC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O TN1427
COc1cc(\C=C\C=O)cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1 TN1428
COc1cc(O)c(C(C)=O)c(OC)c1C TN1429
COc1cc(O)cc(CCc2cccc(O)c2)c1 TN1433
CC1(C)Oc2cc(O)c(cc2C=C1)C(=O)\C=C\c1ccc(O)cc1 TN1434
COC(=O)Cc1ccc(O)cc1 TN1436
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C TN1438
CC(C)=CC[C@@H](OC(=O)CC(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O TN1440
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@](C)(CC1)Oc(c(C)c2)c1c(C)c2O TN1441
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=C TN1442
[H][C@]12CC(C)=CC(=O)[C@@]1([H])[C@@](C)(O)\C(O2)=C\C=C(C)C TN1445
CC1=CC[C@H](CC1)[C@]1(C)CC[C@H](O)C(C)(C)O1 TN1446
CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)O[C@@H]1OC(CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O TN1447
CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C TN1448
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C TN1450
OC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c12 TN1451
[H][C@@]12CC[C@H](O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C TN1455
OCCNC(=O)c1ccc(O)cc1 TN1456
COc1cc(ccc1O)C(=O)NCCO TN1457
[H][C@]12CC[C@]3([H])[C@]([H])(C(=O)[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 TN1459
Oc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 TN1461
COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1O)c2=O TN1462
COc(cc(C=CC(O1)=O)c1c1OC)c1O[C@@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O TN1463
CCCCCc1cc(O)c(C\C=C(/C)CCC=C(C)C)c(O)c1 TN1465
O=c1ccc2nccc3c4ccccc4n1c23 TN1466
Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]4O)c(O)c3C(=O)c12 TN1467
CC(=C)[C@@H]1CC=C(C)C(=O)C1 TN1468
Cc1cc(=O)c2c(O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3cc2o1 TN1472
COc1cc-2c(C[C@@H]3N(C)CCc4cc5OCOc5c-2c34)cc1O TN1473
COn1cc(CC#N)c2ccccc12 TN1474
[H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O TN1475
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@@]34C)C(O)=O)C12)C(O)=O TN1477
[H][C@@]12C[C@H](C[C@H]3NCCc4cc(O)c(OC)cc34)[C@@H](CC)CN1CCc1cc(OC)c(OC)cc21 TN1480
C[C@H](C\C=C\C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C TN1483
COc1cc2[C@@H]3Cc4ccc5OCOc5c4CN3CCc2cc1O TN1484
COc1cc(ccc1O)[C@@H]1O[C@H]([C@H](C)[C@@H]1C)c1ccc2OCOc2c1 TN1485
CN1CC[C@@]2([C@H]1Nc1ccccc21)[C@@]12CCN(C)[C@@H]1Nc1ccccc21 TN1486
COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 TN1490
Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cccc3C(=O)c2c1 TN1492
COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1OC TN1493
COc1c2C[C@H](Oc2cc2oc(CO)cc(=O)c12)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN1496
C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]2(C)[C@@H]13)CCC(=O)C5(C)C TN1497
[H][C@@]12CC[C@]3([H])[C@]4(CC14CC[C@]1(C)[C@H]4[C@H](C)C[C@H]5O[C@]4(O[C@@H]5C(C)(C)O)[C@H](O)[C@@]21C)CC[C@H](O)C3(C)C TN1498
O=C(OCC=Cc1ccccc1)C=Cc1ccccc1 TN1500
[H][C@@]12O[C@]11[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(CO)[C@@]3([H])CC[C@]1(C)[C@H]([C@H]2OC(C)=O)c1ccc(=O)oc1 TN1501
C[N+](C)(C)CCc1c[nH]c2ccc(O)cc12 TN1502
C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1O TN1503
OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 TN1504
COc1ccc(cc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(OC)c(O)c1 TN1505
COc1cc(ccc1O)[C@H]1Oc2c(OC)cc3ccc(=O)oc3c2O[C@@H]1CO TN1511
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)[C@@H](O)CO TN1515
CC(C)=CCOc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12 TN1516
COc1cccc(OC)c1C(=O)CCc1ccc(O)cc1 TN1517
COc1cccc(OC)c1CCC(=O)c1ccc(O)cc1 TN1517L
COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1O TN1519
CC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C TN1520
COc1ccc2C[C@@H](COc2c1)c1cc(O)c(OC)c(OC)c1O TN1521
COc1cc(O)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OC)c2=O TN1522
CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C TN1523
C[C@@]1(CC[C@@H]2C(CC[C@H]3[C@@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C TN1524
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC TN1526
COc1cc2CC[N@@+]3([O-])Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC TN1527
COc1cc(O)c(C(=O)c2ccccc2)c(O)c1 TN1528
CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 TN1529
COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC TN1530
COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C TN1531
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C TN1532
COc1cccc(O)c1C(=O)OCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN1536
CC(=O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C TN1537
CC(=C)[C@H]1C(=O)c2c(C)coc2C[C@]1(C)C=C TN1538
OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 TN1543
CC(C)[C@H]1CC[C@H](C)C[C@@H]1O TN1544
N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545
CC(=O)Oc1ccc(cc1)-c1coc2cc(OC(C)=O)ccc2c1=O TN1547
COc1c(C=O)c(O)cc2C(=O)c3ccccc3C(=O)c12 TN1549
CC(CO)C1=C(O)C(=O)c2c(ccc3c(C)cccc23)C1=O TN1550
CC(C)C1=C(O)C(=O)c2c(ccc3c(C)cccc23)C1=O TN1551
COc1ccc2ccc(=O)oc2c1OC TN1552
C\C(=C/C=C/[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@@]2(O)CCC(C)=CC3)C(O)=O TN1554
COc1c(O)ccc2c1cnc1c3cc4OCOc4cc3ccc21 TN1556
C\C=C(\C)C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C TN1557
CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 TN1558
COc1cc2cc3N(C)CCc4cc5OCOc5c(c2cc1OC)c34 TN1559
Cc1c(O)ccc2c1ccc1cc(O)cc(C=C)c21 TN1560
COc1cc2cc3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34 TN1561
CC(C)C1=Cc2ccc3c(C=CCC3(C)C)c2C(=O)C1=O TN1562
[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1 TN1567
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23O4 TN1568
CC(C)=CCC1=CC(=O)c2ccccc2C1=O TN1569
O=c1n2CCCc2nc2ccccc12 TN1570
[H][C@@]12O[C@]11[C@]3([H])CC[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]1(C)[C@H]([C@H]2O)c1ccc(=O)oc1 TN1572
CC(C)=CCc1c(O)cc(O)c(C(=O)\C=C\c2ccc(O)cc2)c1O TN1573
OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN1574
CCCCC[C@@H](C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O TN1575
C=CCSSCC=C TN1576
COc1cc2C[C@@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34 TN1577
COc1cc(CCCO)ccc1O TN1578
Oc1ccc(cc1)C1COc2cc(O)ccc2C1=O TN1580
C[C@H](Cc(cc1)cc(OC)c1O)[C@@H](C)Cc(cc1)cc(OC)c1O TN1581
COC(=O)c1c(O)c2ccccc2c2OC(C)(C)CCc12 TN1582
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1O TN1583
COc1cc2CCN3Cc4c(OC)c(OC)ccc4C=C3c2cc1OC TN1584
COc1cc(O)cc(CCc2ccccc2)c1 TN1585
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)C TN1586
CC1(C)CCc2c(O1)ccc1ccc(=O)oc21 TN1587
CC1COC2=C1C(=O)c1ccc3c(C)cccc3c1C2=O TN1588
CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6O)C)O5)C)CO TN1589
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C TN1590
CC1CCC(C(C1)O)C(C)C TN1591
N[C@@H](Cc1ccccc1)C(O)=O TN1592
OC([C@H]1NCCC1)=O TN1593
COc1cc(cc(OC)c1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O)c(OC)c1 TN1594
O[C@H]([C@H](C(O)=O)O)C(O)=O TN1595
N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596
Oc1ccc(CC=C)cc1-c1cc(CC=C)cc(c1O)-c1cc(CC=C)ccc1O TN1598
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@@H](CCC(=C)C(C)C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C TN1599
Cc1c(O)ccc-2c1CCc1cc(O)cc(C=C)c-21 TN1601
CCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\c1ccc(O)c(OC)c1 TN1602
[H][C@@]12CC[C@@H]3C[C@]1(C[C@H]3C(O)=O)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O TN1605
O[C@H](C1)[C@@H](c(cc2)ccc2O)Oc2c1c(O)cc(O)c2 TN1606
COc1cc2CC[N@+]3([O-])Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC TN1607
COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 TN1608
COc1cc2[C@@H](O)[C@@H](C)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN1609
COC1=C(OC)C(OC)=CC([C@H]2OC[C@]3([H])[C@@H](C4=CC=C(OC)C(OC)=C4)OC[C@@]32[H])=C1 TN1610
COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(OC)c1 TN1612
COc1cc(ccc1O)[C@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1 TN1613
COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1cc(OC)c(O)c(OC)c1 TN1614
CO[C@@H]1C[C@H]2[C@@H](C=C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O1 TN1616
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C TN1617
OC[C@H]1O[C@@H](Oc2coccc2=O)[C@H](O)[C@@H](O)[C@@H]1O TN1618
[H][C@@]12CC[C@@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22C(=O)C=CC(C)(C)[C@@]2([H])[C@@H]1O TN1620
OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN1621
COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1OC TN1622
CCOC(C=Cc1ccccc1)=O TN1624
CCOC(=O)c1ccccc1O TN1625
COc1cc(O)c2c(c1)oc(C)cc2=O TN1626
C\C(=C/CO)C(=O)O[C@@H]1CC(=C)[C@@H]2C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 TN1628
[H][C@@]12CCC3[C@]1([H])[C@@]([H])(CC(=O)C1C(=C)[C@@H](OC(=O)C(\C)=C\CO)O[C@]31O)C(C)O2 TN1629
CC1=C[C@@H](O)[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](O)C[C@]2(O)CCl TN1630
C\C(=C/CO)C(=O)O[C@@H]1C\C(C)=C\C[C@H](O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN1631
CC(=C)c1cc2cc(C(C)=O)c(O)cc2o1 TN1632
[H][C@]1(C)[C@@]2([H])OC(=O)[C@]1([H])[C@]1(C)C(=O)C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]1([H])[C@H]2O TN1637
CC1(C)O[C@H]2CC(=O)OC[C@]22[C@H]3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C(O)=C12)c1ccoc1 TN1638
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O TN1640
CC1(C)[C@H]2CC[C@](C)(C2)C1=O TN1641
CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O TN1642
COc(cc(/C=C/C(N)=O)cc1)c1O TN1643
OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2O)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN1644
COc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)c(OC)c1 TN1645
CC(C)=CCc1c2OC(C)(C)C(=Cc2c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O)C(C)(C)C=C TN1646
C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O TN1649
[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]12C TN1650
Cc1coc2CC(C)=CCCC(C)=CCc12 TN1651
COc1cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C TN1652
O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(O)c(O)c1 TN1653
COC1=CC(=O)C(CC=C)=CC1(OC)C(\C)=C\c1ccc2OCOc2c1 TN1654
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC\C=C(/C)C=O)[C@@]1(C)CCC(=O)C2(C)C TN1655
[H][C@@]12CC(=O)C3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC\C=C(/C)C(O)=O)[C@@]1(C)CCC(=O)C2(C)C TN1663
[H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC\C=C(/C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C TN1668
[H][C@@]12C[C@H](O)C3=C(C(=O)[C@@H](O)[C@]4(C)[C@H](CC(=O)[C@@]34C)[C@@](C)(O)CC3OC3=O)[C@@]1(C)CC[C@H](O)C2(C)C TN1669
C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C TN1670
[H][C@@]12CC(=O)C3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC\C=C(/C)CO)[C@@]1(C)CCC(=O)C2(C)C TN1671
[H][C@@]12CC(O)C3=C(C(=O)C[C@]4(C)[C@H](CC(=O)[C@@]34C)[C@](C)(O)CC3OC3=O)[C@@]1(C)CC[C@H](O)C2(C)C TN1672
CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CCC(C)(C)O)c3c(=O)c2c1O TN1673
COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O TN1674
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1 TN1675
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3C[C@H](O)C(=C)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O TN1676
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)ccc(O)c3c(=O)c2c1O TN1677
CON1C(=O)[C@@]2([C@H]3[C@H]4[C@H]5CO[C@@H]2C[C@H]5[C@@]3(CN4C)C=C)c2ccccc12 TN1678
C=Cc1cncc2C(=O)OCCc12 TN1681
COc1cc(O)c2c(c1)oc1ccc(O)cc1c2=O TN1683
CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1 TN1689
CC1(C)Oc2c(ccc(O)c2C=C1)C1=Cc2ccc(O)cc2OC1 TN1690
CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1 TN1691
[H][C@@]12C[C@@]3(C)C(OC3=O)[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C TN1692
CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O TN1693
CN([C@]1(CO)SS[C@@]2(CC([C@H]34)=CC=C[C@@H]4O)N3C1=O)C2=O TN1694
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C TN1695
[K+].CSCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS([O-])(=O)=O TN1696
COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O TN1697
[K+].OCC1OC(S\C(Cc2ccccc2)=N\OS([O-])(=O)=O)C(O)C(O)C1O TN1698
COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)cc1O TN1699
O[C@H]1[C@H](Oc2cc(O)c3c(oc(cc3=O)-c3ccccc3)c2O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O TN1700
COc1cc(\C=C\C(O)=O)cc2[C@@H](CO)[C@@H](Oc12)c1ccc(O)c(OC)c1 TN1701
COc1c(CC=C(C)C)c(O)cc2oc(=O)c(cc12)-c1ccc(O)cc1O TN1702
COc1cc2oc(=O)c(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O TN1703
CC(C)=CCc1cc(cc(O)c1O)-c1coc2cc(O)cc(O)c2c1=O TN1705
COc1cc2C[C@H](C)[C@@](C)(O)Cc3cc(OC)c(OC)c(OC)c3-c2c(O)c1OC TN1707
COc1cc2C[C@H](C)[C@H](C)Cc3cc4OCOc4c(O)c3-c2c(OC)c1OC TN1708
COc1cc2[C@H](O)[C@@H](C)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN1709
COc1cc2[C@@H](O)[C@@H](C)[C@@H](C)Cc3cc(O)c(OC)c(OC)c3-c2c(OC)c1OC TN1710
Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O TN1711
OC[C@H]1O[C@@H](Oc2c(O)cc(O)c3c2oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O TN1712
COc1cc2C[C@@H](C)[C@H](C)[C@@H](c3ccc(O)c(OC)c3)c2cc1O TN1715
C[C@H]1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)(C)O TN1716
OC(=O)C1=CCCNC1 TN1717
[H][C@@]12CC(C)(C)[C@@H](O)C[C@]1(CO)[C@@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C TN1719
O[C@H](COC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@](O)(COC(=O)c1cc(O)c(O)c(O)c1)C=O TN1722
Cc1cc(=O)c2c(O)c3C[C@H](O)C(C)(C)Oc3cc2o1 TN1723
Cl.CC1=NCCc2c1[nH]c1cc(O)ccc21 TN1724
CC(=O)O[C@@H]1C\C(C)=C\CC\C(C=O)=C\[C@@H]2[C@H]1C2(C)C TN1726
COc1cc(O)cc(O)c1C(=O)\C=C\c1ccc(O)cc1 TN1727
[H][C@@]12CC[C@]3(O)C[C@@H](O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]21O)c1ccc(=O)oc1 TN1728
[H][C@@]12CC[C@]3(O)C[C@@H](O)CC[C@]3(CO)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]21O)c1ccc(=O)oc1 TN1729
CC(C)(O)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 TN1730
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 TN1733
COc1ccc(cc1OC)-c1oc2cc(OC)c(OC)c(OC)c2c(=O)c1OC TN1735
O[C@H]1[C@H](Oc2c(O)cc(O)c3c2oc(-c2ccc(O)c(O)c2)c(O)c3=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O TN1736
COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)C(=O)c2cc(OC)c(OC)cc12 TN1737
Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O TN1738
COc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O TN1739
COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 TN1740
COc1cc2oc3cc(O)c(O)cc3c(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN1741
COc1cc(CCO)ccc1O TN1742
[H][C@]12C[C@]3([C@@H]4OC[C@@]1([H])[C@@]([H])([C@H]4O)C(CC)=N2)C(=O)N(OC)c1ccccc31 TN1746
[H][C@]12CO[C@@H]3C[C@H]1\C(CN(C)[C@@]2([H])C[C@@]31C(=O)N(OC)c2ccccc12)=C\C TN1747
[H][C@@]12C[C@]3([C@H]4C[C@@H](\C(CN1)=C\C)[C@]2([H])CO4)C(=O)N(OC)c1cc(OC)ccc31 TN1748
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@](N)(C1)[C@@H]2C=C TN1749
OC(C(O)=O)C(O)(CC(O)=O)C(O)=O TN1751
CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C12O TN1752
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](O)[C@H]12 TN1753
COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](O)[C@@H]5[C@@](O)([C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2)[C@@H](O)[C@@H]6OC TN1754
COC[C@H]1Cc2cc(OC)c3OCOc3c2[C@H]([C@@H]1COC)c1ccc(OC)c(OC)c1 TN1757
CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O TN1764
CC1C[C@H]2[C@@H]([C@H]3C=C4COC(C)(C)OC4C45OC(C)(C)OC4C(C)=C[C@@]15C3=O)C2(C)C TN1765
C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TN1766
Oc1ccc(cc1)C(=O)c1c(O)cc(O)cc1O TN1768
COc1ccc(cc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(O)c2c1=O TN1769
COc1cc(O)c2c(oc(c(O)c2=O)-c2ccc(O)cc2)c1CC=C(C)C TN1771
[H][C@@]1(O[C@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O TN1772
O=C(C1=CC=C2C(C=CC(C)(C)O2)=C1O)/C=C/C3=CC=C(O)C=C3 TN1774
C[C@@H]1COC2=C1C(=O)c1ccc3c(CCCC3(C)C)c1C2=O TN1775
COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O TN1778
COc1cc2C[C@@H](C)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN1780
COc1cc(O)ccc1C1CC(=O)c2c(O)cc(O)c(CC(CC=C(C)C)C(C)=C)c2O1 TN1781
COc1cc2C[C@@H](CO)[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)c2cc1O TN1782
CC(C)=CCc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O TN1783
CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1 TN1784
CCC(=O)c1ccc(Oc2cc(CC=C)ccc2O)cc1 TN1785
COc1ccc2ccc(=O)oc2c1CC(=O)C(C)C TN1786
COc1ccc([C@@H]2COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3C2)c(O)c1OC TN1787
Oc1ccc(cc1O)[C@@H]1CC(=O)c2ccc(O)c(O)c2O1 TN1788
COc1cc(C=CC(=O)OC(C)C)ccc1O TN1789
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4([C@@H]3C[C@H]12)C(=O)Nc1ccccc41 TN1790
COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O TN1793
COc1cc(ccc1O)-c1oc2cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc(O)c2c(=O)c1O TN1795
COc1cc(ccc1O)-c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1O TN1796
CC(C)c1cc2[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@@H]4[C@H]3O)c2c(O)c1O TN1798
COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 TN1800
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2Oc3cc(O)c(O)cc3C=Cc12 TN1801
COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 TN1803
COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O TN1804
COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O TN1805
[H][C@@]12CC[C@@]3([H])[C@@]([H])(CN4C[C@@H](C)CC[C@@]4([H])[C@@]3(C)O)[C@]1([H])C[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C TN1807
CC1(C)CC(=O)C=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1CO TN1809
C[C@@H]1Cc2c(C1=O)c1c([C@@H]3[C@H](CCC1=C)C3(C)C)c(C)c2O TN1810
Cc1c(O)ccc-2c1CCc1cc(O)c(C)c(C=C)c-21 TN1814
COc1cc2[C@H]3O[C@H]([C@H](C)[C@@H]3C)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN1815
COc1cc2C[C@@H](C)[C@@H](C)[C@@H](OC(C)=O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN1816
COc1ccc(cc1)-c1oc2cc(OC)cc(O)c2c(=O)c1OC TN1817
O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O TN1818
O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H]1O TN1821
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O TN1823
OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O TN1826
C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@H](O)[C@H]1O TN1827
C[C@@]12C=Cc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 TN1828
CC(C)=CCc1cc(\C=C\C(=O)c2ccc(O)c(CC=C(C)C)c2O)ccc1O TN1832
CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)C14 TN1833
COc1ccc(cc1OC)[C@H]1OC[C@H]2[C@H]1CO[C@@H]2c1ccc2OCOc2c1 TN1834
[H][C@@]12[C@@H](O)C(OC(=O)[C@@H]1CCC=C(C)C)[C@]1(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C TN1838
COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(OC)c2=O TN1839
COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O TN1840
CC(C)=CC[C@H](Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1O)C(C)=C TN1841
COc1cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O[C@@H]([C@@H](O)C(=O)c12)c1ccc(O)cc1O TN1842
COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H]([C@H](O)C(=O)c12)c1ccc(O)cc1O TN1843
CC(C)=CCc1c(O)c(CC=C(C)C)c2O[C@@H]([C@@H](O)C(=O)c2c1O)c1ccc(O)cc1O TN1844
COc1cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O[C@@H]([C@H](O)C(=O)c12)c1ccc(O)cc1O TN1845
COc1cc(C2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(O)cc1O TN1846
CC(C)=CC[C@H](Cc1c(O)cc(O)c2C(=O)[C@H](O)[C@H](Oc12)c1ccc(O)cc1O)C(C)=C TN1847
CC(C)=CCC\C(C)=C\Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)cc1O TN1848
C[C@@H]([C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]([C@@](C)(O)CO)[C@@]4(CCC(=O)O4)C[C@H]3CC[C@]12C)C(O)=O TN1852
COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(O)c(OC)c2)ccc1O TN1853
[H][C@@]12CC[C@@H]3[C@@H](O)[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22[C@H](CCC(C)(C)[C@@]2([H])[C@@H]1O)OC(C)=O TN1854
[H][C@@]12Cc3cc(O)c(OC)cc3-c3c(OC)c(O)cc(CCN1)c23 TN1855
COc1cc(O)ccc1[C@@H]1CC(=O)c2c(O)cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O1 TN1856
CCCc1cc(=O)c2ccccc2n1C TN1858
CC(C)=CCc1cc2c(cc1O)oc(cc2=O)-c1ccc(O)cc1 TN1859
CC(C)=CCc1cc(ccc1O)-c1cc(=O)c2cc(CC=C(C)C)c(O)cc2o1 TN1860
CC(C)=CCc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 TN1861
CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O TN1862
CC(C)=CCc1c(O)ccc(c1O)-c1coc2cc(O)cc(O)c2c1=O TN1863
CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)cc(O)c2c1=O TN1864
COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)c(CC=C(C)C)c1O TN1867
COC1=C(OC)C(=O)C(C(=O)\C=C\c2ccccc2)C1=O TN1872
COc1cc2CCN(C)[C@H]3Cc4ccccc4-c(c1O)c23 TN1873
O=C1c2ccccc2-c2c3OCOc3cc3ccnc1c23 TN1875
COc1cc(O)cc(OC)c1CCC(=O)c1ccc(O)cc1 TN1878
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O TN1879
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O TN1880
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O TN1881
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O TN1884
OC[C@H]1O[C@@H](Oc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2CO)[C@H](O)[C@@H](O)[C@@H]1O TN1885
CC(=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O TN1887
CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O TN1889
[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C TN1890
CC(C)=CCc1c(O)cc(O)c2c1occ(-c1ccc(O)cc1)c2=O TN1891
COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1 TN1892
OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2cc(=O)c3c(O)cc(O)cc3o2)[C@H](O)[C@@H](O)[C@@H]1O TN1894
[Cl-].Oc1cc(O)c2ccc([o+]c2c1)-c1ccc(O)c(O)c1 TN1895
OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(cc(=O)c23)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN1896
CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3O)c(=O)c2c1O TN1897
[H][C@]12CCCN3CCC[C@]4(O)[C@@H](C[C@@H](C)C[C@@]134)CC2=O TN1898
COc1ccc2CN(C)CC[C@@]34CC[C@H](O)C[C@@H]3Oc1c24 TN1899
Br.[H][C@]12C[C@@H](O)CC[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 TN1899L
COc1cc(cc(OC)c1O)[C@H]1[C@H](CO)[C@@H](CO)Cc2cc(OC)c(O)c(OC)c12 TN1900
C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 TN1901
COc1cc2CC[N+](C)(C)[C@H](Cc3ccc(O)cc3)c2cc1O TN1902
OC[C@H](O)Cc1ccc(O)c(c1)-c1cc(CC=C)ccc1O TN1903
OC[C@@H](O)Cc1ccc(O)c(c1)-c1ccc(O)c(CC=C)c1 TN1904
COc1cc2oc(=O)ccc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN1905
[Cl-].COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O TN1910
OC[C@H]1O[C@@H](Oc2ccc(C(=O)\C=C\c3ccc(O)c(O)c3)c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O TN1911
[H][C@]12C[C@H](c3ccc(=O)oc3)[C@@]3(C)CC[C@@]4([H])[C@@]([H])(CC[C@]5(O)C[C@@H](O)CC[C@]45C)[C@@]13O2 TN1912
C\C(CC[C@@H](O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1 TN1913
C[C@@H]1C[C@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 TN1914
COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O TN1916
COc1ccc2[C@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 TN1918
COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 TN1919
C[C@@H](O)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O TN1920
COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O TN1922
COC[C@]12CN(C)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@]3([C@@H]1C[C@@]3(O)[C@H](O)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC TN1923
COC(=O)c1ccccc1N TN1925
O=C(OC)/C=C/C1=CC=C(O)C(O)=C1 TN1926
CCC(=O)c1cc2OCOc2cc1OC TN1927
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 TN1928
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1 TN1929
Cc1coc-2c1C(=O)C(=O)c1c3CCCC(=C)c3ccc-21 TN1930
COC(\C=C\c1ccccc1)=C1C(=O)C(OC)=C(OC)C1=O TN1931
C\C=C(/C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C TN1932
[H][C@@]12C[C@]3([H])C(=CO[C@@H](C)[C@@]3([H])CN1CC[C@]21C(=O)Nc2ccccc12)C(=O)OC TN1933
[H][C@@]12CC[C@H](O)C(C)(C)C1=C[C@H](O)[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)CC(O)C=C(C)C)[C@@]3(C)CC[C@@]21C=O TN1940
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C TN1944
Cc1cc(=O)c2c(O)c3C[C@@H](Oc3cc2o1)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN1948
CC(C)=CCc1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 TN1949
Oc1ccc2cc(oc2c1)-c1cc(O)cc(O)c1 TN1950
CC(C)(O)[C@H]1Cc2cc3cc(oc3cc2O1)-c1cc(O)cc(O)c1 TN1951
CC1(C)Oc2cc3oc(cc3cc2C[C@H]1O)-c1cc(O)cc(O)c1 TN1952
CC(C)(O)CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O TN1953
COc1cc(O)cc2ccc3cccc(O)c3c12 TN1954
CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@](C)(O)[C@@H]2[C@H]1O TN1955
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CCC2(C)O TN1960
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN1961
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O TN1962
C[C@H]1CC(=O)c2c(C)cc3occ(C)c3c2C1 TN1963
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1 TN1964
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1ccccc1 TN1965
CCCCCCCC\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1 TN1966
NCCCCNC(=O)C=Cc1ccc(O)c(O)c1 TN1967
COc1cc(\C=C\C(=O)NCC(O)c2ccc(O)cc2)ccc1O TN1968
Oc1ccc(C=CC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1 TN1969
OC(CNC(=O)\C=C\c1ccc(O)cc1)c1ccc(O)cc1 TN1970
O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)O[C@@H]([C@H]1O)C(O)=O TN1972
CC(=O)Oc1ccc(cc1)[C@@H]1CC(=O)c2c(OC(C)=O)cc(OC(C)=O)cc2O1 TN1973
COc1cc2C[C@@H](C)[C@@H](C)Cc3cc(OC)c(OC)c(OC(=O)C(\C)=C/C)c3-c2c(OC)c1OC TN1974
C[C@@H]([C@@H]([C@H]([C@H]1O)O)O)O[C@H]1O[C@@H]([C@H](c(cc1)cc(O)c1O)Oc1c2c(O)cc(O)c1)C2=O TN1975
CCCC[C@@H]1OC(=O)C2=CCCC[C@@H]12 TN1979
C[C@@H](CO)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=O TN1980
CC(C)[C@@H](CC([C@@H](C)CC/C=C(\C)/C1)=O)C1=O TN1981
COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12 TN1982
C[C@@H]([C@@H]([C@H]([C@H]1O)O)O)O[C@H]1O[C@H]([C@H](c(cc1)cc(O)c1O)Oc1c2c(O)cc(O)c1)C2=O TN1983
OC[C@H]1O[C@@H](Oc2ccc(C(=O)\C=C\c3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN1984
[H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]([H])(CC(O)O1)[C@]23C TN1986
COc1c2CC[C@H]3C4=C(CC[C@]3(C)c2c(O)cc1C(C)C)C(=O)OC4 TN1987
C\C1=C/CC\C(C)=C\C[C@@H](CC\C(C)=C\CC1)C(C)(C)O TN1988
Oc1cc(O)c2c(c1)oc1cc(O)c(O)cc1c2=O TN1990
COc1ccc2c(cnc3c2ccc2cc4OCOc4cc32)c1OC TN1991
Cc1cc(=O)c2c(O)cc(O)cc2o1 TN1992
C1Oc2cc3ccc4c5ccc6OCOc6c5cnc4c3cc2O1 TN1993
[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2N1)OC(=O)[C@H](CO)c1ccccc1 TN1994
COc1cc(OC)c2c(oc(cc2=O)-c2ccccc2)c1OC TN1995
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O TN1996
COc1ccc2CC[N+](C)(C)[C@@H](Cc3ccc(O)cc3)c2c1O TN2001
Oc1cc(CC=C)cc(Oc2ccc(CC=C)cc2)c1O TN2002
COC(=O)Nc1ccc(C)c(NC(=O)OC)c1 TN2003
COc1cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c(O)c1OC TN2004
COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1cc(OC)c(O)c(OC)c1 TN2005
COc1ccc(C2=Cc3ccc(O)cc3OC2)c(O)c1OC TN2006
Oc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1O TN2008
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O)c2=O TN2010
Cc1c(O)cc2OC[C@@H](Cc3ccc4OCOc4c3)C(=O)c2c1O TN2013
Cc1c(O)c(C=O)c2OC[C@@H](Cc3ccc4OCOc4c3)C(=O)c2c1O TN2014
COc1ccc(CC2COc3c(OC)c(O)c(C)c(O)c3C2=O)c(O)c1 TN2015
Oc1cc(O)c2c(c1)occ(-c1ccc(O)c(O)c1)c2=O TN2019
COc1ccc2ccc(=O)oc2c1CCC(C)(C)O TN2021
COc1cc2C(=O)c3nccc4cc(OC)c(OC)c(-c2cc1OC)c34 TN2022
COc1cc2CCn3c(cc4ccc5OCOc5c4c3=O)-c2cc1OC TN2023
CC1(C)OC1COc1c2occc2cc2ccc(=O)oc12 TN2024
OC[C@H]1O[C@@H](Oc2cc(O)ccc2\C=C\c2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN2025
OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN2026
Cn1c2c(ccc3cc4OCOc4cc23)c2ccc3OCOc3c2c1=O TN2027
OCC=Cc1ccc(O)cc1 TN2028
COc1cc(\C=C\c2ccc(O)cc2)oc(=O)c1 TN2029
COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O TN2030
CC(C)C1=CCC(C)=CC1 TN2031
COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(OC)c2=O TN2032
COc1cc(O[C@@H]([C@H](C2=O)O)c(cc3)cc(O)c3O)c2c(O)c1 TN2033
C[C@]12CC(=O)[C@@H]3C[C@]1(O)O[C@H](O2)[C@@H]3COC(=O)c1ccccc1 TN2034
C[C@@H]1[C@H]2CC(=O)[C@@](C)(O)C[C@H]2OC1=O TN2035
C[C@]1(O)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O TN2036
C[C@]1(O)C[C@H]2OC(=O)[C@H](COC(=O)c3ccccc3)[C@H]2CC1=O TN2037
CCCCCCC[C@@H]1O[C@@H]1CC#CC#C[C@H](O)C=C TN2039
CCCCCCC\C=C/CC#CC#C[C@@H](O)C=C TN2040
CC(=C)[C@@H](O)COc1c2ccoc2cc2oc(=O)ccc12 TN2041
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)[C@H]3O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN2042
[H][C@]12[C@@]3(O)OC[C@@]11[C@@]([H])(C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]24C)OC(=O)[C@H](O)[C@@]1(O)[C@@]1(CO1)[C@H]3O TN2043
[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN2045
COC1=C(OC)C(=O)C(=CC1=O)C1COc2cc(O)ccc2C1 TN2047
[Cl-].COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O TN2049
[Cl-].COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN2050
C[C@H]1[C@H](C=O)C2C[C@@H]3N1[C@H]1C[C@]4([C@H](OC(C)=O)C21)C3=Nc1ccccc41 TN2051
C[C@H](O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C TN2053
COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(OC)c(O)c1 TN2058
[Cl-].COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O TN2061
COC[C@@H](Cc1ccc(OC)c(OC)c1)[C@@H](COC)Cc1ccc(OC)c(OC)c1 TN2062
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1 TN2064
COC(=O)[C@@H]1[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@@]11c4ccccc4N[C@@]31O2 TN2068
CC1=C(C=O)C(C)(C)C[C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN2069
COc1cc(cc(OC)c1OC)[C@H]1[C@H](CO)[C@H](CO)[C@@H](O)c2cc3OCOc3cc12 TN2070
COc1cc(cc(OC)c1OC)[C@H]1[C@H]2[C@H](COC2=O)C(=O)c2cc3OCOc3cc12 TN2071
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(O)c1 TN2073
C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C TN2075
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccccc1 TN2076
Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1 TN2077
Oc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1 TN2078
COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1 TN2079
COc(cc([C@H]1OC[C@@H]2[C@@H](c(cc3)cc(OC)c3O)OC[C@H]12)cc1)c1O TN2080
COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 TN2082
COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1 TN2083
COc1cc(ccc1O)[C@H]1OC[C@H]2[C@H]1CO[C@@H]2c1ccc2OCOc2c1 TN2084
CC(C)CNC(=O)\C=C\C=C\c1ccc2OCOc2c1 TN2085
COc1ccc(\C=C\C(=O)N2CCCC2)cc1 TN2086
COc1cc(/C=C/C(N2CCCC2)=O)cc(OC)c1OC TN2087
COc1cc(cc(OC)c1OC)[C@H]1[C@@H](CO)[C@H](CO)[C@@H](O)c2cc3OCOc3cc12 TN2090
CC(C)=CCc1c(O)c2c(occ(-c3ccc(O)c(O)c3)c2=O)c2C=CC(C)(C)Oc12 TN2095
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O TN2097
C\C=C(\C)C(=O)O[C@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN2098
COc1ccc(cc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O TN2099
COc1ccc(cc1O)-c1coc2cc(O)cc(O)c2c1=O TN2100
CCCCCC1=CC(=O)C=C(OC)C1=O TN2101
CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(C)=CC1=O TN2102
OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O TN2110
OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN2111
OC(=O)\C=C\c1ccc(O)c2O[C@H]([C@H](C(O)=O)c12)c1ccc(O)c(O)c1 TN2112
CC1(C)CCCc2c1ccc1-c3occ(CO)c3C(=O)C(=O)c21 TN2113
[H][C@@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CC[C@]21C(=O)Nc2ccccc12)C(=O)OC TN2116
[H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]([H])(CC(=O)O1)[C@]23C TN2120
COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O TN2121
COc1cc(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c12 TN2131
Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 TN2132
C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O TN2133
CC(=O)OC[C@@H](COC(=O)\C=C\c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN2139
OC[C@@H](COC(=O)\C=C\c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN2140
[H][C@]12C[C@H](c3ccc(=O)oc3)[C@@]3(C)CC[C@@]4([H])[C@@]([H])(CC[C@]5([H])C[C@@H](O)CC[C@]45C=O)[C@@]13O2 TN2142
Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1O TN2143
OC[C@H]1O[C@@H](Oc2ccc(\C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN2144
OCC1=CCN2CC[C@@H](O)[C@@H]12 TN2145
OCC1=CC[N@@+]2([O-])CC[C@@H](O)[C@@H]12 TN2146
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TN2147
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O TN2148
C[C@](CC[C@H]([C@@H]1OC2=O)C2=C)([C@@H](CC2)O)[C@@H]1C2=C TN2149
COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(O)c2=O TN2150
COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O TN2151
OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4cc(cc(O)c4C(=O)c23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O TN2154
C\C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N TN2155
C=CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 TN2156
COc1cccc(O)c1-c1cc(=O)c2c(O)cc(OC)c(OC)c2o1 TN2157
Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O TN2158
COc1c2ccoc2nc2c(O)cccc12 TN2159
CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23 TN2160
COc1cc(O)cc2CC(O)c3cccc(O)c3-c12 TN2161
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1Oc(c1ccccc11)cc(C(O)=O)c1O TN2162
COC(=O)c1c(O)c2ccccc2c(OC2=CC(=O)c3ccccc3C2=O)c1CC=C(C)C TN2163
COC(=O)C1=C(O)c2ccccc2C(=O)[C@]1(CC=C(C)C)C1=CC(=O)c2ccccc2C1=O TN2164
C[C@H]1CC[C@@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O TN2166
[H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]45COC(=O)C[C@]4([H])OC(C)(C)[C@@]5([H])C(=O)[C@H](O)[C@@]13C)[C@@H](OC2=O)c1ccoc1 TN2167
[H][C@@]12CC[C@]3(C)[C@]([H])(C=CC4=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@@]34C)[C@@]1(C)CC[C@H](O)[C@@]2(C)CO TN2169
OC(=O)Cc1c(O)c(O)ccc1\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O TN2173
OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 TN2175
CC(C)=CCC\C(C)=C\Cc1c(O)ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O TN2176
CC(C)=CCCC1(C)Oc2cc(O)c3C(=O)CC(Oc3c2C=C1)c1ccc(O)cc1O TN2177
CC1(C)Oc2c(ccc(O)c2C=C1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 TN2178
COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c(O)c1 TN2180
OC[C@H]1O[C@@H](OC\C=C(\CO)C#N)[C@H](O)[C@@H](O)[C@@H]1O TN2181
COC(=O)C1=CO[C@@H]2O[C@@H]3C[C@H]1[C@H]2[C@H](C)O3 TN2182
C[C@@H]([C@@H]1[C@@]2(C)CCCC3C12CC[C@]1(C)CC[C@@H](C(C)=C)[C@]31CCC(O)=O)[C@H]1CC=C(C)C(=O)O1 TN2184
COc1cc2ccc(=O)oc2cc1OC(C)=O TN2189
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4O TN2190
C[C@@H]1[C@@H](O)[C@H](OC(=O)c2cccnc2)[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC1=CC(=O)OC1 TN2196
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O TN2197
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC(C(C)=C)C(C)(CCC(O)=O)C3=CC2C1=C TN2199
CC1(C)Oc2c(O)cc(cc2C=C1)-c1coc2cc(O)cc(O)c2c1=O TN2201
C1CCc2c[n+]3ccc4c5ccccc5[nH]c4c3cc2C1 TN2202
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 TN2203
C\C=C1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 TN2204
C\C=C1\CC(=C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TN2205
CC(C)=CC[C@H](OC(C)=O)c1coc(c1)-c1cc(O)ccc1O TN2207
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(=O)\C=C\c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O TN2209
OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)CCc3ccc(O)c(O)c3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN2210
COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O TN2211
[KH].OC[C@H]1O[C@@H](S\C(Cc2ccc(O)cc2)=N/OS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O TN2212
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Oc2cc3oc(=O)ccc3cc2[C@H]1O TN2214
COc1cc(O)c(CC=C(C)C)c2oc(c(O)c(=O)c12)-c1ccc(O)cc1 TN2217
CC1(C)Oc2c(ccc(O)c2C=C1)-c1coc2cc(O)cc(O)c2c1=O TN2219
O[C@]12CCCN3CCC[C@H]([C@H]4CCCC(=O)N4C1)[C@H]23 TN2220
CC(C)=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1 TN2221
[H][C@@]12CC(C)(C)[C@@H](O)[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C TN2224
[H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C TN2225
[H][C@@]12CC(C)(C)C=C[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C TN2226
[H][C@@]12CC[C@]3(C)[C@]([H])(CCC4=C5CC(C)(C)C[C@@H](OC)[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)[C@]2(C)CO TN2227
CC1(C)[C@@H]2CCC(=C)[C@@H]3CC[C@](C)(O)[C@H]3[C@H]12 TN2233
OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O TN2234
C\C(=C/CO)\C=C\[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C TN2235
CC(=O)\C=C\[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C TN2236
NCCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O TN2237
OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(CCc5c4[nH]c4ccccc54)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O TN2239
CC(C)c1cc2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O TN2243
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1 TN2244
[Na+].[Na+].Oc1ccc2cc(ccc2c1N=Nc1ccc(cc1)S([O-])(=O)=O)S([O-])(=O)=O TN2245
COc1cc2oc(cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1ccc(O)c(O)c1 TN2246
COc1cc2oc(cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1ccc(O)cc1 TN2247
COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 TN2249
COc1cc(cc(OC)c1O)C1OCC2C1COC2c1cc(OC)c(O)c(OC)c1 TN2250
Cc1coc-2c1C(=O)C(=O)c1c3CCC[C@](C)(CO)c3ccc-21 TN2257
C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O TN2260
Cc1ccc2C(=O)c3ccccc3C(=O)c2c1 TN2261
CC(=O)[C@@H]1CC[C@@]23O[C@]22CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]2[C@H](O)[C@@H](O)[C@]13C TN2263
CC(C)C1(O)CCC(C)=CC1 TN2264
[H][C@@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CCc1c2[nH]c2ccccc12)C(=O)OC TN2267
CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O TN2268
COc1ccc(\C=C\C(=O)C(C)(C)C(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC TN2269
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2cc(C)c(C(C)=O)c(O)c12 TN2275
CCC\C=C1/OC(=O)C2=C[C@H]3CC[C@]12[C@]1(OC(=O)C2=C1CCC=C2)[C@@H]3CCC TN2276
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c(C(C)=O)c(C)cc2c1 TN2277
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1 TN2278
CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C TN2279
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@@H](CCC=C(C)C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C TN2280
COc1cc(\C=C\C=O)cc(OC)c1O TN2281
C(=Cc1ccccc1)c1ccccc1 TN2282
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]12CCC[C@](C)([C@H]1CC3)C(=O)OC2 TN2283
NC(Cc1c[nH]c2ccccc12)C(O)=O TN2285
[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@@H](CCC=C(C)C)C(O)=O)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C TN2286
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C TN2287
CC(C)=CCc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O TN2288
[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(CO)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C TN2290
CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C=C[C@H](O)[C@]1(O)COC(=O)c1ccccc1 TN2291
CCO[C@@H]1C=C[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@]1(O)COC(=O)c1ccccc1 TN2292
[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(COC(C)=O)C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)CCl TN2293
C[C@H](CC[C@H]1/C=C(\C)/C(O)=O)[C@@H]2C1=C(C)CC2 TN2294
[H][C@@]1(C[C@]2([H])C3=CO[C@@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2C=C)C5=C(C6=CC=CC=C6N5)CCN1C3=O TN2298
COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@]5([C@H]24)c2ccccc2N[C@]15[C@@H]3C TN2300
COc1c(O)ccc(O)c1-c1cc(=O)c2c(O)cc(O)c(OC)c2o1 TN2302
C\C1=C/CC\C(=C\[C@@H]2[C@H](CC1)C2(C)C)C(O)=O TN2305
CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C TN2309
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1 TN2310
COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)C(=O)c2cc(O)c(OC)cc12 TN2311
CC1(C)C(CO)=CC(=O)C2=C1SCC(=O)N2 TN2312
CC1(C)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)C2=C1SCC(=O)N2 TN2313
COc1cc(O)c(CC(O)C(C)=C)c(O)c1C(=O)\C=C\c1ccc(O)cc1 TN2314
Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 TN2315
CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 TN2316
[H][C@]12OC(=O)[C@H](O)[C@@]3(O)[C@]4(CO)OC[C@]13[C@]([H])([C@@H](O)[C@@H]4O)[C@@]1(C)[C@H](O)C(=O)C=C(C)[C@]1([H])[C@H]2O TN2317
[H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4(O)[C@@H](O)C(=O)O2 TN2318
COc1cc(cc(OC)c1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1 TN2322
O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(O)=O TN2323
COC(=O)[C@]1(CO)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3CC1\C(CN23)=C\C TN2325
CCC\C=C1/OC(=O)c2ccccc12 TN2326
CC(C)=C1C[C@H]2[C@@H](CC[C@@]2(C)O)[C@@](C)(O)CC1=O TN2327
O[C@H]1[C@H](OC(=O)c2ccccc2)C=CC(=O)[C@]1(O)COC(=O)c1ccccc1 TN2328
COc1cc(C=CC(=O)OCCc2ccccc2)ccc1O TN2330
COc1cc2ccc(=O)oc2c(OC)c1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN2331
COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)-c1cc(=O)c2c(O)cc(O)cc2o1 TN2334
CC1=C(C(O)=O)C(C)(C)CC[C@H]1O TN2336
CC(=O)OC1CC2(C)CN3C4CC56CC(=C)C7C(OC(C)=O)C5C(C1)(C24)C3C6(O)C7OC(C)=O TN2338
COc1cccc2cc3C(=O)O[C@H](C)c3c(O)c12 TN2339
O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O TN2344
COc1cc(O)cc(O)c1CCC(=O)c1ccc(O)cc1 TN2345
[H][C@@]12CC[C@H](O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]3(C)C[C@@H](O)[C@@]21C TN2346
COC1=CC(=O)O[C@H](C1)\C=C\c1ccc2OCOc2c1 TN2347
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@H](O)[C@H]5C[C@@H](O)CC[C@]45C)[C@]3(O)C[C@H](O)[C@@H]1[C@]2(C)O TN2350
[H][C@]12C[C@@]3(O)[C@]4([H])CN5C[C@@H](C)CC[C@@]5([H])[C@@](C)(O)[C@]4([H])[C@@H](O)C[C@@]3(O)[C@]1([H])C[C@H](O)[C@@]1([H])C[C@@H](O)CC[C@]21C TN2351
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H]([C@H](O)C(=O)[C@H]5C[C@@H](O)CC[C@]45C)[C@]3(O)C[C@H](O)[C@@H]1[C@]2(C)O TN2352
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(O)c2o1 TN2353
COc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1OC TN2354
COc1cc(cc(OC)c1OC)-c1c2C(=O)OCc2c(O)c2cc3OCOc3cc12 TN2356
COc1cc(ccc1O)-c1coc2cc(O)c(OC)c(O)c2c1=O TN2357
COc1ccc(cc1O)-c1coc2cc(O)c(OC)c(O)c2c1=O TN2359
CCCCCCC\C=C/CC#CC#C[C@H](O)C=C TN2360
Oc1ccc2ccccc2c1N=Nc1ccccc1 TN2362
Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1 TN2363
Cc1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1 TN2364
C[C@@H]1C[C@H]2OC(=O)C3=C2[C@@H](CCC3)[C@@]11C[C@H](OC1=O)c1ccoc1 TN2365
OC(=O)C\C=C(/CC(O)=O)C(O)=O TN2366
OC1COC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C1O TN2367
C[C@@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O TN2368
COC1N(C)c2c(ccc3cc4OCOc4cc23)-c2cc3OCOc3cc12 TN2370
OC[C@H]1O[C@@H](Oc2ccc(C=CC(=O)c3ccc(O)cc3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN2371
CC/C=C\C/C=C\C/C=C\CCCCCCCC(OCC)=O TN2372
CCCCCC=CCC=CCCCCCCCc1cccc(O)c1C(O)=O TN2373
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC TN2374
COc1cccc2C(=O)C3=C([C@H](C)O[C@@H](C)C3)C(=O)c12 TN2375
CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)OCC TN2377
C[C@@](O)(CO)[C@@H]1COC(C)(C)O1 TN2378
C[C@](O)(CO)[C@H](O)CO TN2379
OCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO TN2380
CC#Cc1ccc(s1)C#CC#CC(O)CO TN2381
COc1cc(cc(OC)c1OC)-c1oc2c(OC)c(OC)cc(OC)c2c(=O)c1OC TN2382
CC#Cc1ccc(s1)-c1ccc(s1)C(O)CO TN2383
CC#Cc1ccc(s1)C#CC#CC(O)CCl TN2384
CC#CC#Cc1ccc(s1)C#CC(O)CCl TN2385
COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c2ccc(O)c(OC)c2)ccc1O TN2386
COc1cc(ccc1O)[C@@H]1[C@@H](CO)C(C=O)=Cc2cc(OC)c(O)cc12 TN2387
O[C@]12CCO[C@H]1CC(=O)CC2 TN2388
OC\C=C\C#CC#C[C@@H](O)C=C TN2389
CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@@H](O)[C@@H]2O1 TN2390
CC(=O)OCCCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C TN2391
OCCCCCCCC\C=C/C(O)C#CC#CC(O)C=C TN2392
CC[C@@H](O)C#CC#C\C=C\CO TN2393
CC1(C)OC[C@@]2(O1)OC[C@@H](O)[C@@H](O)[C@@H]2O TN2394
O[C@H]1CC[C@](O)(CC(O)=O)CC1 TN2395
CCO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O TN2398
CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C TN2399
OCc1ccc(s1)-c1ccc(s1)-c1cccs1 TN2400
CCO[C@@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O TN2401
CSCO[C@H]1C[C@@H](CC=C(C)C)C(=O)c2ccccc12 TN2402
CC(C)=CCC\C(C)=C\Cc1cc(O)cc2C(=C(C)C)C(=O)Oc12 TN2403
COC(=O)[C@H]1[C@H]2C[C@@H](C=C[C@@]2(C)Oc2c(C\C=C(/C)CCC=C(C)C)cc(O)cc12)C(C)C TN2404
CCO[C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O TN2405
COc1cc(O)c(OC)c(O)c1C(=O)[C@@H]1[C@@H]2C=C(C)[C@@H](C[C@H]2C(C)C)[C@H]1c1ccccc1 TN2407
COc1cc(ccc1O)[C@H](CO)C(=O)c1ccc(O)c(OC)c1 TN2408
CO[C@H]1CC(=O)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1O TN2409
C[C@H]1Cc2c(O1)c(O)c1c(C(=O)C=C3C(C)=C(C)CC[C@]13C)c2O TN2410
COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@H](O)[C@H]2C(C)=CCC(=O)[C@]12C TN2411
COc1c(O)c(OC)c2ccc(=O)oc2c1CC=C(C)C TN2412
CC(=O)OCC1=C2[C@H](C[C@@](C)(O)[C@@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O)OC(C)=O TN2413
CC1C(O)C(=O)C=C(C)C11CCC(C1)[C@@](C)(O)CO TN2414
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(CO)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN2416
COC(=O)c1c(O)c2ccccc2c2occc12 TN2417
CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12 TN2418
COc1cc2C[C@@H](C)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(O)c1OC TN2419
C=C1OC(=O)C=C1 TN2420
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C TN2421
CC1=C(C=O)C(C)(C)CC=C1 TN2423
Oc1c2ccoc2c(O)c2oc(=O)ccc12 TN2425
COc1ccc(cc1)-c1oc2c(CCC(C)(C)OC)c(O)cc(O)c2c(=O)c1O TN2428
COc1cc(COC(=O)CCCC\C=C\C(C)C)ccc1O TN2429
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)[C@H](O)C[C@H](O)C2 TN2433
[H][C@@]12CC(C)(C)CC[C@]11CC[C@@]3(C)[C@]4(C)CC[C@H]5[C@@](C)(COC1=O)C(=O)CC[C@]5(C)[C@@]4([H])C=C[C@]23O TN2434
C1Oc2cc3CCN4Cc5c6OCOc6ccc5CC4c3cc2O1 TN2435
Cc1cc(oc(=O)c1)-c1ccccc1 TN2436
NCCc1c[nH]c2ccc(O)cc12 TN2437
COc1cc(OC)c2c(ccc3cc(OC)c(O)cc23)c1 TN2438
CCC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O TN2439
COc1cc(C=CCO)cc(OC)c1O TN2440
COc1cc(O)cc(CCc2ccccc2O)c1 TN2444
CC(C)=CCc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc2OC(C)(C)C=Cc2c1O TN2445
[H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C TN2446
CC(C)CC(=O)OC(CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O TN2447
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C)[C@H](CCC=C(C)C)C(O)=O TN2448
C[C@@H]1CC[C@H]2C(C)=CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 TN2449
Oc1ccc(COC(=O)CC(O)(CC(=O)OCc2ccc(O)cc2)C([O-])=O)cc1 TN2452
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Oc2cc3oc(=O)ccc3cc2[C@H]1O TN2455
CC(=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O TN2456
[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](CC[C@]21C)OC(C)=O)[C@H](CCC=C(C)C)C(O)=O TN2457
CCCCCCCCCCC TN2458
COC1Oc2ccccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O TN2459
CCc1ccc(O)c2cc3Cn4c(cc5c(COC(=O)C5(O)CC)c4=O)-c3nc12 TN2460
CCCCCCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCC TN2462
C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2C(=O)CC1=CCOC1=O TN2463
COc1cccc2C(=O)C3=C([C@@H](C)O[C@@H](C)C3)C(=O)c12 TN2464
COc1cc2OCc3oc4c5C[C@@H](Oc5cc(O)c4c(=O)c3-c2cc1OC)C(C)=C TN2465
COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@@H](COC2=O)[C@H](O)c2cc3OCOc3cc12 TN2466
C[C@@H]1[C@@H]2C[C@H](O)[C@@](C)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2COC1=O TN2467
COC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C([O-])=O TN2468
[H][C@]12C[C@]([H])(C(C)=CC1)C2(C)C TN2469
COc1ccc(cc1C(O)CC(C)C)C(C)=O TN2470
OC(CC\C=C\c1ccc(O)cc1)CCc1ccc(O)c(O)c1 TN2471
CC(=O)c1ccc2OC(C)(C)C[C@H](O)c2c1 TN2472
OC[C@H]1O[C@@H](OC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN2473
COc1ccc(\C=C\C(=O)n2cccc2)cc1 TN2474
C[C@@H]1CC(=O)C=C2CC[C@@H]3[C@@H](C3(C)C)[C@@]12C TN2475
CC(C)=C1C[C@H]2O[C@]2(C)CC[C@H]2O[C@]2(C)CC1=O TN2476
O[C@]12CCC(=O)C=C1OC[C@@H]1[C@H]2Oc2cc3OCOc3cc12 TN2477
COc1ccc2[C@@H]3COC4=CC(=O)CC[C@]4(O)[C@@H]3Oc2c1 TN2478
COc1cc2oc3cc(OC)c(OC)c(OC)c3c(=O)c2cc1OC TN2481
COc1c(OC)c2oc(=O)c3cc4OCOc4c4oc(=O)c(c1OC)c2c34 TN2482
Oc1ccc2oc3c(O)cccc3c(=O)c2c1O TN2483
CC(=O)Oc1c(OC(C)=O)c2c(oc3cc(O)c(O)cc23)c(O)c1-c1ccc(O)cc1 TN2484
Cc1coc-2c1C(=O)C(=O)c1c3CCC=C(C)c3ccc-21 TN2485
COc1ccc(cc1OC)C(O)C(C)O TN2486
Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O TN2487
CC(C)[C@@H]1[C@H](O)C[C@H](C)c2cc(O)c(C)cc12 TN2488
CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O TN2489
COc1c(O)cc(O)c2c1n(C)c1ccccc1c2=O TN2491
CC(C)=CCc1c(O)c(O)c2oc3c(O)ccc(O)c3c(=O)c2c1CC=C(C)C TN2492
CC(C)=CCc1cc2c(oc3c(O)ccc(O)c3c2=O)c(O)c1O TN2493
COc1c(O)c(CC=C(C)C)cc2c1oc1c(O)ccc(O)c1c2=O TN2494
CC(C)[C@]1(O)CC[C@@]2(C)[C@H](O)CC[C@](C)(O)[C@@H]2C1 TN2495
O=C1C=CC(=O)c2cc3ccccc3cc12 TN2496
Cc1c(C(O)=O)c(=O)c2ccccc2n1C TN2497
C[C@H](CC(=O)C=C(C)C)[C@@H]1C[C@H]2OO[C@@H]1C=C2C TN2498
COc1cc(O)ccc1CCCc1ccc(O)c(CC=C(C)C)c1 TN2499
COCc1ccc2C(=O)c3c(OC)c(O)ccc3C(=O)c2c1OC TN2500
COc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O TN2501
Oc1ccc2c(oc3cccc(O)c3c2=O)c1O TN2502
COc1cc2oc3c(O)ccc(O)c3c(=O)c2c(O)c1CC=C(C)C TN2503
Oc1cccc2c1oc1cccc(O)c1c2=O TN2504
O=C(CCCCc1ccccc1)c1ccccc1 TN2505
C\C=C\C#CC#CC(OC(C)=O)C(OC(C)=O)c1ccco1 TN2506
Oc1cc2oc3cccc(O)c3c(=O)c2cc1O TN2507
CO[C@]1(CC=C)C=C2[C@H](C)[C@H](OC2=CC1=O)c1ccc2OCOc2c1 TN2508
CO[C@@]1(CC=C)C=C2[C@H](C)[C@H](OC2=CC1=O)c1ccc2OCOc2c1 TN2509
OCC1CCC2(CCCCO2)O1 TN2510
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1OC(C)=O TN2511
Oc1ccc(CCCCC(=O)C=Cc2ccc(O)cc2)cc1 TN2512
OC(CCC=Cc1ccc(O)cc1)CCc1ccc(O)cc1 TN2513
Oc1ccc(CCC(=O)CC\C=C\c2ccc(O)cc2)cc1 TN2514
Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1 TN2515
C[C@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(O)CO TN2516
COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1OC TN2517
COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C TN2518
COc1ccc(O)c2c1oc1ccc(O)cc1c2=O TN2519
Oc1ccc2[nH]c3cccc(O)c3c(=O)c2c1 TN2520
COc1ccc2oc3cc4OCOc4c(OC)c3c(=O)c2c1 TN2521
O=C(CCc1ccccc1)\C=C\CCc1ccccc1 TN2522
O\C(\C=C\c1ccccc1)=C\C(=O)CCc1ccccc1 TN2523
CC(=O)c1nccc2c3ccccc3[nH]c12 TN2524
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@H]2OC(C)=O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 TN2525
OC1CCN(C1)C(=O)C=Cc1ccccc1 TN2526
O=C(\C=C\c1ccccc1)n1cccc1 TN2527
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C12)C(O)=O TN2529
CCCCCCCCCCCCCCCCCCCCCCCCCCCO TN2531
COc1cc(O)ccc1C(O)C(=O)Cc1ccc(O)cc1 TN2532
COc1ccc2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2c1 TN2533
COc1cc2oc3c(OC)cccc3c(=O)c2c(O)c1OC TN2534
CC(C)=CCc1ccc2ccccc2c1O TN2536
COc1ccc2c3c(O)cnc4ccc(=O)n(c2c1)c34 TN2537
Cn1c2ccccc2c(=O)c2c(O)cccc12 TN2538
C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 TN2539
C[C@@H](CCC=C(C)C)[C@H]1CC(=O)C(C)=C[C@@H]1O TN2541
Oc1cnc2ccc(=O)n3c4ccccc4c1c23 TN2542
OC[C@H]1O[C@@H](OCc2nccc3c4ccccc4[nH]c23)[C@H](O)[C@@H](O)[C@@H]1O TN2544
COc1c(O)cc2oc3cc(O)c4CCC(C)(C)Oc4c3c(=O)c2c1CC=C(C)C TN2546
COc1ccc2CC(=O)c3c(CCN(C)Cc2c1OC)cc1OCOc1c3OC TN2547
[Cl-].COc1ccc2cc3-c4c(CC[n+]3cc2c1OC)cc1OCOc1c4OC TN2548
COC(=O)c1nccc2c3ccccc3[nH]c12 TN2549
COC1C(Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3c(O)c12)C(C)(C)O TN2550
COn1cc(C(O)=O)c2ccccc12 TN2551
CCCCCCCCCc1cc(=O)c2ccccc2n1C TN2552
CCCCCCCCCCCc1cc(=O)c2ccccc2n1C TN2553
CCCCCCCCCCCCCCCC(=O)OCC(O)CO TN2554
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCOC(C)=O)OC(=O)C2=C TN2555
CC[C@@H](C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCOC(C)=O)OC(=O)C2=C TN2556
COc1c(O)ccc2C(=O)c3cc(C)cc(O)c3C(=O)c12 TN2559
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO TN2560
OC12CC(=O)OC1CC(=O)C=C2 TN2561
CC1CCC(=O)C2C(O)C3(CC12C)C(=C)COC3=O TN2562
COc1cnc(C=C)c2[nH]c3ccccc3c12 TN2563
C[C@@H]1CC[C@@]2(C)[C@H](C)C[C@H](O)C[C@]22CC[C@H]([C@@H]([C@H]12)c1cc2ccccc2[nH]1)C(C)(C)O TN2564
COC(=O)[C@]12C[C@]3(C=C)C=CCN4CC[C@]1([C@H]34)c1cc(OC(C)=O)ccc1NC2=O TN2565
Oc1ccc2c(c1)c1ccnc3ccc(=O)n2c13 TN2567
C[C@H]1[C@H](CO)[C@@H]2C[C@@H]3N1[C@@H](Cc1c3[nH]c3ccc(O)cc13)[C@@H]2CO TN2568
CCN1C[C@]2(COC)CC[C@H](O)C34[C@H]1C([C@H](OC)C23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)C1[C@H]2O TN2569
COC(=O)[C@]12C(C=CCC1=O)N(O)C=C1CC3=C4N(C[C@@H](C=C)C214)CCC3 TN2570
CC(C)[C@@H]1CC[C@@](C)(OC(C)=O)[C@@H]2CCC(=C)C[C@@]12O TN2571
CCCCCc1cc(O)c2C3=C(CC[C@@](C)(O)[C@@H]3OCC)C(C)(C)Oc2c1 TN2574
COc1cc(ccc1O)C(=O)OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 TN2575
COC(=O)N1c2ccccc2[C@]23CC(=O)C[C@@]4(CCCN(C=O)[C@H]24)CC[C@]13C(=O)OC TN2576
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(C)[C@@H](CC[C@]22O[C@]22CC[C@H]3C[C@@H](O)CC[C@]3(C)C12)C(C)=O TN2577
CC1=C(O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1ccoc1 TN2578
C[C@H]1[C@H]2C[C@H]3C(=C)C[C@H](O)C[C@]3(C)C[C@H]2OC1=O TN2579
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@]3(C)[C@@]2(C)CC1=O TN2580
CCCCCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 TN2581
CC(CC(=O)CC(C)(C)O)c1ccc(C)cc1 TN2582
Oc1cccc2c1c1ccnc3ccc(=O)n2c13 TN2583
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO TN2584
C[C@H](O)\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O TN2585
[H][C@@]12C[C@]3([C@H]4C[C@@H](\C(CN1)=C\C)[C@]2([H])CO4)C(=O)N(OC)c1cc(O)ccc31 TN2586
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@@]33CCN(CC=C1)[C@@H]23 TN2587
[H][C@@]12COc3cc(OC)c(OC)cc3[C@]1(O)C(=O)c1c(O)cc3OC(C)(C)C=Cc3c1O2 TN2588
[H][C@]12[C@@H]3O[C@@H]3[C@]3(O)[C@@H]4CC(=C)CC[C@]44CC[C@@]3(C)[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@H](O)[C@]1(CO)COC4=O TN2589
C[C@@]12C[C@H](O)C3[C@@]4(C)C=CC(=O)C(C)(C)C4=C(O)C(=O)[C@@]3(C)[C@]11O[C@H]1C[C@H]2c1ccoc1 TN2591
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@H](O)C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 TN2592
C[C@@H]1CC(=O)C=C(C)[C@]11CCC(C1)[C@@](C)(O)CO TN2593
C[C@@H]1CC(=O)C=C(C)[C@]11CCC(C1)[C@](C)(O)CO TN2594
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2C[C@@H]1OC(C)=O TN2595
CC(=O)c1cc2C[C@H](Oc2cc1O)C(=C)CO TN2596
[H][C@@]12[C@H](O)C=C(CO)[C@](O)(CO)[C@@]1(C)CCCC2(C)C TN2597
CC1(C)CCC[C@]2(C)[C@@H](C[C@@H](O)C3=CCOC3=O)C(=C)CC[C@@H]12 TN2598
CC1(C)CCC[C@@]2(C)[C@H]1CCC1=C2C(=O)O[C@@H]1O TN2599
CC(C)C1=C(O)C(=O)c2c(CCC=C(C)C)c(C)ccc2C1=O TN2600
[H][C@@]12CCc3cc(C(C)C)c(OC)c(O)c3[C@]1(CCCC2(C)C)C(O)=O TN2601
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](C(=C)C1)C(=O)C=C23)C(O)=O TN2602
C[C@@H]1C[C@H](O)[C@]2(C)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C TN2603
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O TN2605
CO[C@H]1C=C2[C@]3(C[C@@H]1C(=C)C3)CC[C@@H]1[C@@](C)(CCC[C@@]21C)C(O)=O TN2606
C\C(C=C)=C/C[C@H]1[C@]2(C)CC[C@@H]3[C@@]1(CCCC3(C)C)C(=O)O2 TN2607
CC(=O)OCC1=C2CC\C(C)=C\C[C@H](O)C(C)=C[C@H]2OC1=O TN2608
C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)(CC[C@H]21)C=C TN2610
C[C@](O)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C TN2611
C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(O)ccc21)C(O)=O TN2612
Cc1cc2CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)c2cc1O TN2613
CC(=O)O[C@]12CO[C@@H]3[C@@H]4OC(=O)[C@@H]([C@@H]4C(C)=C)[C@](O)([C@H]4O[C@@H]14)[C@]23C TN2614
CCOCC1=C2[C@@H](O)C[C@@](C)(O)[C@@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O TN2617
C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O TN2619
CC[C@@]12C=CCN3CCc4c([C@H]13)n(C=C2)c1ccccc41 TN2620
CC1(C)CCC23OOC4(C=C2)[C@]2(C)CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]5(C)[C@H]2CC[C@@]4(C)[C@@H]3C1 TN2621
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O TN2622
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)[C@@H](CO)CC[C@H]12 TN2623
C[C@@H]1[C@@H]2CC[C@]3(O)C(C)(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@H]2Cc2occc12 TN2624
CC(C)c1cc2C(=O)C(O)=C3C(C)(C)CCC[C@]3(C)c2c(O)c1O TN2625
CO[C@]1(NC(=O)[C@]2(OC([C@@H](O)[C@@H](O)\C=C/C)=C(C)C2=O)[C@H]1O)C(=O)c1ccccc1 TN2626
COC1OC(=O)C(CC[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC=C3C(O)=O)=C1 TN2629
CC(=O)\C=C\[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C TN2630
CC1(C)CCC[C@]2(C)[C@@H](C[C@@H](O)c3ccoc3)C(=C)CC[C@@H]12 TN2631
CC1(C)CCC[C@]2(C)[C@@H](C[C@H](O)c3ccoc3)C(=C)CC[C@@H]12 TN2632
CCOC1CC(O)(CCC2=C(C)C(=O)[C@@H](O)[C@H]3C(C)(C)CCC[C@]23C)CO1 TN2633
CC(C)(O)c1ccc2c(c1)C(=O)CC1[C@](C)(CO)CCC[C@]21C TN2634
C[C@H](O)C1=CC2(OC1=O)C=C[C@H]1[C@@H]2[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(O)=O TN2635
CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1 TN2636
C[C@@H]1[C@@H](O)[C@H](O)C[C@@H](CO)[C@]11CC[C@H](C1)C(C)=C TN2637
C[C@@]1(CC[C@@H]2[C@@]3(C)CCC[C@@](C)(CO)[C@@H]3CC[C@@]2(O)C1)C=C TN2639
COC1OC(=O)C(CC[C@@]2(C)[C@H](C)CC[C@@]34COC(=O)C3=CCC[C@H]24)=C1 TN2640
COC1OC(=O)C(CC[C@H]2C(=C)CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1 TN2641
CC[C@@]12CCCN3CCc4c([C@H]13)n(C(C2)C(=O)OC)c1ccccc41 TN2642
CC(COC(C)=O)C1=C(O)C(=O)C2=C([C@@H](C[C@H]3C(C)(C)CCC[C@]23C)OC(C)=O)C1=O TN2643
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC1=CC(=O)OC1O TN2644
C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CC(=O)OC1O)C(O)=O TN2645
C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC1=CC(=O)OC1O TN2646
CC1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H](O)[C@H]12)[C@@H](O)C4=C TN2647
CC(=O)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1 TN2648
CC[C@]12C[C@@H](OC)n3c4[C@H]1N(CCc4c1ccccc31)CC=C2 TN2649
C[C@@H]1CC[C@]2(C)[C@H](O)C[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2[C@H]1C TN2651
CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2CC1[C@H](CO)C(=O)OC TN2652
[H][C@@](CO)(C(=O)OC)[C@@]1([H])C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C\C1=C\C TN2653
C\C(CC\C=C(/C)CC[C@H](O)C(C)=C)=C/Cc1c(C)cc(O)cc1O TN2654
CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C TN2657
CC(C)c1ccc2c(CC[C@H]3[C@](C)(O)CCC[C@]23C)c1 TN2658
CC(C)(O)c1ccc2c(CC[C@H]3[C@](C)(O)CCC[C@]23C)c1 TN2659
COC(=O)[C@@]1(CO)[C@H]2CCN(C\C2=C\C)Cc2c1[nH]c1ccccc21 TN2660
C[C@@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@H]2CCC1=CCOC1=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN2661
COC(=O)[C@@]12C[C@H]3CC([C@H](C)O)[C@@H]1N(C3)CCc1c2[nH]c2cc(OC)c(OC)cc12 TN2663
CC(C)[C@H]1C[C@@H](O)C2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C TN2664
C[C@@]1(O)C=C[C@@]2(O)C1[C@@H]1OC(=O)C(=C)[C@H]1CC[C@@]2(C)O TN2665
C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(O)CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O TN2666
CC1=CC(=O)[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13 TN2667
CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2C1 TN2668
C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@]2(O)CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O TN2669
CC1(C)[C@H]2CC(C)(C)OC(=O)[C@@H]12 TN2670
CC1(C)[C@@H]2CC(C)(C)OC(=O)[C@H]12 TN2671
Oc1ccc(-c2cc3ccc(O)cc3o2)c(O)c1 TN2672
COc1c2cc(oc2cc2oc(=O)ccc12)C(C)(C)O TN2673
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@@H](C[C@@](C)(CO)[C@H]1CC3)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O TN2674
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@@H](CC(C)(C)[C@H]1CC3)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O TN2675
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)CC(C)(C)[C@H]1CC3 TN2676
COc1cc(O)c(C(=O)c2cccc(O)c2O)c(OC)c1 TN2677
CC1(C)CC(=O)C(C)(C)CC1=O TN2678
CC1(C)Oc2c(C=C1)cc(oc2=O)-c1ccccc1 TN2679
CC(C)=CCc1cc(cc2C=CC(C)(C)Oc12)C(O)=O TN2680
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O TN2684
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O TN2685
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O TN2686
COc1cc(cc(OC)c1O)C(=O)C(O)CO TN2688
Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccccc1O TN2690
O=C1OCC(Cc2ccc3OCOc3c2)=C1Cc1ccc2OCOc2c1 TN2692
CC(=O)c1cc2CC(Oc2cc1O)C(C)(O)CO TN2693
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O TN2701
OC(C(O)c1ccc(O)cc1)C(O)=O TN2702
COc1ccc(C(C)=O)c(O)c1O TN2703
COc1ccc(C(O)=O)c(O)c1O TN2704
C[C@H]1[C@@H](O)[C@H](O)C[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O TN2705
Cc1cc2C(=O)c3ccccc3C(=O)c2cc1C TN2706
Oc1ccc(cc1)C(=O)CCc1ccc(O)cc1O TN2707
COc1cc(OC)c(cc1OC)-c1coc2cc3OC(C)(C)C=Cc3cc2c1=O TN2708
CC1=CC(C)(C)N=C(C)C1=O TN2709
OC(=O)c1c(O)cc(O)cc1O TN2710
COc1ccccc1\C=C\C(=O)c1c(OC)cc(O)c(OC)c1O TN2713
COc1cc(O)c(OC)c(O)c1C(=O)\C=C\c1ccccc1 TN2714
COc1cc(O)c(OC)c(O)c1C(=O)CCc1ccccc1 TN2715
C\C=C\c1ccc2O[C@@H](C)[C@@H](Oc2c1)c1ccc(O)cc1O TN2716
COc1c(O)ccc(C(C)=O)c1O TN2717
COc1ccc(CCC(=O)c2c(O)cc(O)cc2OC)cc1 TN2718
COc1cc(O)cc(O)c1C(C)=O TN2719
COc1ccc2CC[C@H](Oc2c1CC=C(C)C)c1ccc(O)cc1O TN2720
Oc1ccc(CC#N)c(O)c1 TN2721
CC1=CC(=O)CC(O1)c1ccc(O)cc1 TN2722
CC(=O)Oc1cc(OC(C)=O)c2C(=O)C[C@H](Oc2c1)c1c(OC(C)=O)cccc1OC(C)=O TN2724
COc1c(O)ccc2oc3c(O)cccc3c(=O)c12 TN2729
Oc1ccc2oc3c(O)cccc3c(=O)c2c1 TN2731
COc1ccc(OC)c(c1)C(O)=O TN2732
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@@H](CC(C)(C)[C@H]1[C@H](O)C3)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O TN2733
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)CC(C)(C)[C@H]1[C@H](O)C3 TN2734
COc1ccc(C=CC(=O)c2c(O)cc(OC)cc2O)cc1 TN2735
COc1cc(O)c(C(C)=O)c(O)c1 TN2736
COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 TN2737
COC1=CC(=O)C=C(OC)C1(O)CC(C)=O TN2738
CC(C)(O)\C=C\CC(C)(O)C=C TN2739
CCC(C)C(=O)c1c(O)c(C)c(O)c(C)c1OC TN2740
CC(C)(O)C(O)CCC(C)(O)C=C TN2741
CO[C@H]1CC=C2CCN3CCCc4cc(OC)c(OC)cc4[C@]23C1 TN2743
OC1Oc2cc(O)ccc2NC1=O TN2744
COc1cc(O)c(OC)c2O[C@@H](CC(=O)c12)c1ccccc1O TN2745
Cc1ccc2c(O)cc(C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 TN2746
CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CCc3c(C)c4ccoc4cc3[C@@]2(C)[C@H]1OC(C)=O TN2747
CC(=O)O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O TN2748
NCCP(O)=O TN2749
C[C@@]1(O)[C@H](O)COC1=O TN2750
C[C@H](C[C@@H]([C@H](C1)C2=C)OC2=O)[C@H](CC2)[C@@]1(C)[C@H]2O TN2755
COC1=C[C@]2(CC=C)[C@H](C)[C@@H](OC2=CC1=O)c1ccc2OCOc2c1 TN2756
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O TN2757
CCC1(C)CC(=O)CC(C)(C)N1 TN2758
CC(C)C(=O)c1c(O)cc(O)c(C\C=C(/C)CCC=C(C)C)c1O TN2759
CC1(C)O[C@]2(C)CC[C@H]1C[C@H]2O TN2760
COc1c(O)c(\C=C\C(=O)c2ccccc2)c(OC)c(OC)c1OC TN2761
OCc1cc2C(=O)c3ccccc3C(=O)c2cc1O TN2762
COc1cccc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O TN2763
COc1ccc(Cc2cc(C=O)c(O)cc2OC)c(O)c1 TN2764
COc1cc(O)c2C(=O)[C@@]3(Cc4cc5OCOc5cc34)C(O)Oc2c1 TN2765
Oc1ccc(c(O)c1)-c1coc2cc(O)ccc2c1=O TN2766
Oc1ccc(c(O)c1)-c1coc2cc(O)cc(O)c2c1=O TN2767
C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C TN2768
Oc1ccc(cc1)C1(O)CC(=O)c2c(O)cc(O)cc2O1 TN2769
CC(=C)[C@H]1CCc2cc(O)cc3C(=O)O[C@H]1c23 TN2770
Oc1ccc2oc3ccccc3c(=O)c2c1 TN2771
COc1cc2OC(C)(C)C=Cc2cc1C(O)=O TN2772
COc(cccc1)c1C(Oc1c2cccc1)=CC2=O TN2773
COC1=Cc2cccc3cccc(C1=O)c23 TN2774
COC1=CC(=O)c2c(O)c(C(C)=O)c(C)cc2C1=O TN2775
CC[C@H](C)C(=O)c1c(O)cc(O)c(C)c1O TN2776
CC(C)C(=O)c1c(O)cc(O)c(C)c1O TN2777
CC(CCC(O)C(C)(C)O)c1ccc(C)cc1 TN2778
CNCCO TN2779
CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H]([C@@H]2C(C)=C)[C@]2(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]12C TN2783
COC1=Cc2cccc3ccc(-c4ccccc4)c(C1=O)c23 TN2787
COc1ccc(CCCc2ccc(O)cc2)c(OC)c1 TN2788
COc1cc(O)cc(OC)c1C(=O)\C=C\c1ccc(O)cc1 TN2789
CCCCCc1cc(OC)cc(O)c1C(=O)Oc1cc(CCCCC)c(C(O)=O)c(OC)c1 TN2790
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C TN2791
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O TN2792
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC(=O)c4cc(O)c(O)cc34)[C@@]1(C)CC2)C(O)=O TN2793
CC(=C)[C@@H](O)CC[C@](C)(O)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]21C TN2794
CO[C@H]1O[C@@](C)(CCC1(C)C)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]21C TN2795
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12 TN2796
CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@@]4(CO3)c2c(O)c1O TN2798
C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(C)[C@@H](O)[C@]12O)C3=O)C4(C)C TN2799
CC(C)(O)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O TN2800
CC(C)C1=C([C@@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1)c1c[nH]c2ccccc12 TN2801
CC(C)(O)[C@H]1CC[C@](C)(O1)C1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]21C TN2803
CC(C)(O)[C@H]1CC[C@@H](CO1)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C TN2805
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C TN2806
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 TN2807
CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 TN2808
CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C TN2809
CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)=C TN2811
C[C@H]1[C@@H](C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O TN2812
CC(C)C(=C)CC[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)[C@@H](O)C[C@H](O)[C@@]4(C)C(O)=O TN2813
CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12 TN2814
C[C@H](CC(O)\C=C(/C)C(O)=O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CCC(=O)C4(C)C TN2815
C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CCC(=O)C4(C)C TN2816
CC(C)(O)[C@H](O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]21C TN2817
CC1(C)O[C@H]1CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]21C TN2818
C[C@@H](CC(=O)[C@H]1OC1(C)C)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C TN2819
CC(C)C(=C)CC[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C TN2820
CC(C)C(=C)CC[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](OC(C)=O)C4(C)C TN2821
CC(C)C(=C)CC[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CCC(=O)C4(C)C TN2822
CC(=C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)C[C@@]12C TN2823
C[C@H](C\C=C\C(C)(C)O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CCC(=O)C4(C)C TN2826
CC(C)(O)CCC[C@@](C)(O)C1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@@H](O)C[C@@]21C TN2827
CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12 TN2830
C[C@H](CC\C=C(/CO)C(O)=O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C TN2832
C[C@H](CC\C=C(/CO)C(O)=O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CCC(=O)C4(C)C TN2833
COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@@H]2OC[C@]3(C)C=CC(=O)[C@@]1(C)C23 TN2835
C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C TN2836
CC(=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 TN2837
C[C@H](C\C=C\C(C)(C)O)C1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44CC34CC[C@]12C TN2838
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O TN2839
CC1=CC(=O)[C@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@@]1(O)CO TN2841
CCC(C)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN2842
C\C=C(\C)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN2843
COc1cc(CC(C)O)cc2[C@@H](CO)[C@@H](Oc12)c1ccc(O)c(OC)c1 TN2844
OC[C@H]1O[C@@H](O[C@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN2845
COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 TN2846
COc1ccc2cc(c(=O)oc2c1O)C(C)(C)C=C TN2847
COc1c(C)c(O)c2C(=O)C(Cc3ccc(O)c(O)c3)COc2c1OC TN2848
COc1ccc(CCC(O)=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 TN2849
COc1ccc(CCC(=O)n2cccc2)cc1 TN2850
CC(C)C1=C2[C@@H]3C([C@H](C1)[C@@](C)(O)C2=O)[C@@](C)(O)C(=O)C=C3C(C)C TN2852
COc1ccc(C(=O)C=Cc2ccc(OC)c(O)c2)c(O)c1 TN2854
CC(C)(O)\C=C\C[C@@](C)(C=C)\C=C\c1ccc(O)cc1 TN2856
Oc1ccccc1\C=C\C=O TN2857
CC(C)CCCC(C)CCCC(C)CCCC(=C)C(O)CO TN2858
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 TN2859
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O TN2860
COC(=O)[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(CO)CC2)C(C)=C TN2861
CC(C)(O)CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1O TN2862
O[C@H]1[C@H](O)c2ccc(O)cc2O[C@@H]1c1ccc(O)cc1 TN2863
COc1cc(cc(OC)c1OC)-c1oc2cc(OC)c(OC)c(OC)c2c(=O)c1OC TN2864
COc1cc(\C=C\C(O)=O)cc(OC)c1OC TN2865
COc1cc(\C=C\CO)cc(OC)c1OC TN2866
COc1cc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC TN2867
Oc1ccc(cc1O)-c1cc(=O)c2ccc(O)c(O)c2o1 TN2868
COc1ccc(cc1OC)-c1cc(=O)c2ccc(OC)c(OC)c2o1 TN2869
CC(=O)Oc1ccc(C=CC(N)=O)cc1OC(C)=O TN2873
CC1(C)CCc2ccc3ccccc3c2O1 TN2874
O[C@H]1CC(=O)c2ccccc2[C@@H]1O TN2875
COc1cc2c(oc3ccccc3c2=O)c(O)c1O TN2876
COC1=Cc2cccc3ccc(-c4ccc(O)c(O)c4)c(C1=O)c23 TN2877
COc1cc(OC)c2C[C@@H](O)[C@H](Oc2c1)c1ccc(O)c(OC)c1 TN2878
COc1cc(cc(OC)c1O)C(=O)CCO TN2879
C[C@@H](CCC=C(C)C)[C@H]1C[C@H](O)[C@@](C)(O)C=C1 TN2880
NC(=O)C=Cc1ccc(O)c(O)c1 TN2881
COc1ccc(C=CC(=O)c2ccccc2)cc1OC TN2882
COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1 TN2883
COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC TN2884
COc1cc(CC(O)CO)cc(OC)c1O TN2885
CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]23C)C(O)=O)[C@@]1(C)CCC(O)=O TN2886
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]12)C(O)=O TN2888
C[C@@H](CC\C=C(\C)C(O)=O)C1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C TN2889
COc1cc(cc(OC)c1OC)-c1oc2cc(O)cc(O)c2c(=O)c1O TN2891
Oc1cc(O)c2c(c1)occ(O)c2=O TN2892
CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2=C3C=C[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C TN2893
O[C@H](CCc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)c(O)c1 TN2896
O[C@H](CCc1ccc(O)c(O)c1)C[C@H](O)CCc1ccc(O)c(O)c1 TN2897
COc1ccc(cc1)-c1oc2cc(OC)cc(O)c2c(=O)c1O TN2898
COc1cc(CCc2cccc(O)c2)cc(OC)c1 TN2899
COc1cc(OC)cc(c1)-c1cccc(O)c1 TN2900
CC(C)=CCc1cc(C=O)cc(CC=C(C)C)c1O TN2901
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O TN2904
COc1nc(Cc2ccccc2)c(=O)[nH]c1Cc1ccccc1 TN2905
COc1cc2c(cc1O)oc1cc(O)cc(OC)c1c2=O TN2906
COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O TN2907
CCC(CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN2908
C[C@H](C(O)C(O)CC(C)=C)C1CC[C@@]2(C)C3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O TN2909
CC(=O)O[C@@H]1[C@H](Oc2cc(OC(C)=O)cc(O)c2C1=O)c1ccccc1 TN2910
COc1ccc(C[C@@H]2COc3cc(O)cc(O)c3C2=O)cc1 TN2911
Oc1ccc2[C@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 TN2912
[H][C@]12C=C[C@]3(O)C4[C@@H](C)[C@H](C)CC[C@]44CC[C@@]3(C)[C@]1(C)CC[C@H]1[C@@](C)(COC4=O)[C@H](CC[C@]21C)OC(C)=O TN2913
CC(=C)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)C3CC[C@@]21C TN2914
C[C@@H]1CC(=O)C([C@H]2C=C(C)[C@H](C[C@@H]12)OC(C)=O)=C(C)C TN2916
CC(C)[C@@H]1[C@@H]2C=C(C)[C@@H](C[C@@H]2[C@@H](C)CC1=O)OC(C)=O TN2917
CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC\C(C)=C\C(O)=O)C(=C)CC[C@H]2C1(C)C TN2918
C\C=C(\C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@]23O)C(=C)C4)[C@]1(C)C(O)=O TN2920
C[C@@]12CC[C@@H](OC(=O)\C=C\c3ccccc3)[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@]21O)C(=C)C3)C(O)=O TN2921
COc1ccc(\C=C\C(=O)N2CCC=CC2=O)cc1OC TN2922
CO[C@H]1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(O)cc1 TN2923
CC(C)(O)[C@@H]1CC[C@](C)(O1)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]21C TN2925
C[C@](O)(CC1OC1=O)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C TN2926
CC(=O)O[C@@H]1C\C=C(C)\C[C@@H](OC(=O)C(\C)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C TN2927
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O TN2928
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 TN2929
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O TN2931
CC1=CC[C@@H](O)[C@@]2(C)CC[C@H](C[C@@H]12)C(C)(C)O TN2933
COc1ccc(cc1C\C=C(/C)CCC=C(C)C)C(O)=O TN2935
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C TN2936
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O TN2937
CC(=O)CC1(O)C(=O)Nc2ccccc12 TN2938
C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O TN2939
COc1ccc(cc1)[C@H]1Oc2cc(OC)cc(OC)c2C(=O)[C@@H]1O TN2940
COc1ccc(\C=C\c2cc(O)cc(OC)c2)cc1 TN2941
COc1cc(OC)c2C[C@@H](O)[C@H](Oc2c1)c1ccc2OCOc2c1 TN2942
Oc1ccc2-c3oc4cc5OCOc5cc4c3COc2c1 TN2944
CC(C)=CCC[C@@](C)(C=C)\C=C\c1ccc(O)c(O)c1 TN2945
C[C@@H](CC(=O)C=C(C)C)[C@H]1CC[C@@](C)(O)C=C1 TN2946
CC(C)=CC[C@@H]1[C@@H](O)[C@H](O)c2ccccc2C1=O TN2947
C[C@H](CC\C=C(\C)C(O)=O)C1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C TN2949
OC[C@H]1CC[C@H](O)C1 TN2950
OC[C@H]1CCC(=O)C1 TN2951
C\C=C1\CN2[C@H]3Cc4c([nH]c5ccc(O)cc45)[C@]2(O)C[C@@H]1[C@H]3CO TN2953
COc1c(O)cc2oc3cc4OC(C)(C)CCc4c(O)c3c(=O)c2c1CCC(C)(C)O TN2954
COc1c(O)cc2oc3cc4OC(C)(C)CCc4c(O)c3c(=O)c2c1CCC(C)(C)OC=O TN2955
COc1cc(\C=C\C=O)cc2OCOc12 TN2956
CCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1 TN2957
COc1cc(ccc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O TN2958
COc1ccoc1 TN2959
COC(=O)c1c(O)c2ccccc2c2OC(C)(C)C(OC)=Cc12 TN2961
COc1ccc(C=CC(=O)c2c(OC)cc(O)c(C)c2O)cc1 TN2963
COc1cc(OC)c(C(=O)\C=C\c2ccc(O)cc2)c(O)c1C TN2964
CC(=O)c1cccc(c1)[N+]([O-])=O TN2965
CC(=O)O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccccc1 TN2967
COc1ccc2ccc(=O)oc2c1\C=C\C(C)(C)OC TN2973
COc1c(oc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1 TN2974
CO[C@]12CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]3[C@@H](C[C@@H]1C)OC(=O)C3=C)O2 TN2975
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CCC2[C@H]1COC(=O)C1 TN2978
CC(C)=CCC[C@@H](C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O TN2979
O=C(CCc1ccccc1)n1cccc1 TN2980
O[C@H]1[C@@H](O)c2c(ccc3cccc1c23)-c1ccccc1 TN2981
OC\C=C\c1ccccc1 TN2982
CC(C)=CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1O TN2983
C[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO TN2984
C[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C=O TN2985
COC1=C[C@@]2(CC=C)[C@@H](C)[C@@H](OC2=CC1=O)c1ccc2OCOc2c1 TN2986
C\C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@]23O)C(=C)C4)[C@]1(C)C(O)=O TN2987
Oc1ccc(CC[C@H]2CC=C[C@H](O2)c2ccc(O)cc2)cc1 TN2992
C[C@@H](CC(=O)C=C(C)C)[C@H]1CCC(=O)C=C1 TN2994
CC1(C)[C@@H]2CC[C@@](C)(O)[C@@H]3CC[C@](C)(O)C3[C@H]12 TN2995
CC(=C)C[C@H]1CC[C@]2(C)[C@@H]1C(=C)CC[C@H]2O TN2996
CC(C)[C@@H]1CCC(=C)[C@H](O)CCC(=C)\C=C\1 TN2997
C[C@@H]1CC[C@]2(C)[C@H](CC(C=O)=C2C)[C@@]1(C)CCC1=CC(=O)OC1O TN2998
CC(=O)\C=C\C1=C(C)CCCC1(C)C TN2999
COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1 TN3000
COC(CO)c1ccc(O)c(O)c1 TN3001
CC(=O)CCc1ccc(O)c(O)c1 TN3002
COc1ccc(\C=C\CCO)cc1OC TN3003
COc1ccc(\C=C\C(O)CO)cc1OC TN3004
CO[C@H]1OC[C@@H](Cc2ccc(O)c(OC)c2)[C@@H]1Cc1ccc(O)c(OC)c1 TN3007
CC(C)=CCc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 TN3009
CC1(C)C[C@H]2[C@H]1CC[C@]1(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H]([C@H]1CCC2=C)c1ccccc1 TN3011
C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C TN3012
COc1c(OC)c(=O)n2c3ccccc3c3ccnc1c23 TN3013
C[C@@H]1CC[C@H](C2[C@H]3O[C@]3(C)CC[C@@H]12)C(=C)C(O)=O TN3014
COc1cc2oc(=O)cc(OC)c2c(C)c1OC TN3015
COc1ccc(cc1)-c1coc2cc(OC)c(OC)cc2c1=O TN3016
CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C[C@]2(O)OC1=O TN3017
COc1cc(ccc1O)[C@@H]1Oc2cc(CCCO)ccc2O[C@H]1CO TN3018
CC1(C)C[C@H](O)C2=C(O1)C(=O)c1c(O)cccc1C2=O TN3019
COc1ccc2c3ccnc4c(OC)cc(=O)n(c2c1)c34 TN3020
CC(C)[C@]1(O)CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12 TN3021
COc1cc(OC)cc(\C=C\C(=O)N2CCCC2)c1 TN3022
Oc1ccc(CC2COc3cc(O)cc(O)c3C2=O)cc1 TN3023
Oc1ccc(\C=C2/COc3cc(O)cc(O)c3C2=O)cc1 TN3024
C[C@@H]1CC[C@H]2C(C)=C[C@@]3(O)O[C@@]12CC3=C(C)C TN3025
CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O TN3026
C[C@H]1[C@@H](O)C[C@H]2[C@@H]1COC(=O)[C@@H]2CO TN3027
C\C(C=C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O TN3028
CCOCc1ccc(O)cc1 TN3029
O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O TN3030
CC(C)[C@@H](CCC(C)=O)C1=CC(C)(O)CCC1=O TN3031
C[C@]1(O)CCC[C@@]2(C)CCC(=O)C=C12 TN3032
COc1ccc(\C=C\C(=O)c2ccc(O)cc2)c(OC)c1 TN3033
CC1=C(C(O)=O)C(C)(C)C[C@H](O)C1 TN3034
COC1=Cc2cccc3ccc(-c4ccc(O)cc4)c(C1=O)c23 TN3035
CC(C)=CCc1cc(cc(C(=O)C=C(C)C)c1O)C(O)=O TN3036
COC(=O)CC1(O)CCC(=O)CC1 TN3037
COc1cc(ccc1O)-c1oc2c(OC)c(OC)c(OC)cc2c(=O)c1O TN3038
COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O TN3039
C[C@@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@H](O)[C@H]1O TN3040
NC(=O)c1ccc(O)cc1 TN3041
NC(=O)\C=C\c1ccc(O)cc1 TN3042
CC(=O)OCC1=C2[C@H](C[C@@](C)(O)[C@@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O)OC(=O)C(=C)CO TN3045
CC(C)C1=C(O)C(=O)c2c(CCCC(C)(C)O)c(C)ccc2C1=O TN3046
COc1cc(=O)n(C)c2ccccc12 TN3047
COc1ccc(C=CC=O)cc1 TN3048
COc1ccc(\C=C\CO)cc1 TN3049
OC(=O)C(O)=O.Clc1ccc(cc1)C(OCCCCN1CCN(CC1)c1nccs1)c1ccccc1 TN3050
O[C@@H]1CC(=C[C@@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O TN3052
Oc1ccc(CCCc2ccc(O)cc2O)cc1 TN3053
COC1=CC2(CC=C)C(C)C(C(C2=O)C1=O)c1ccc(O)c(OC)c1 TN3054
COC1=C[C@@]2(CC=C)[C@@H](C)[C@@H]([C@H](C2=O)C1=O)c1ccc(O)c(OC)c1 TN3055
COc1c(O)cc2C(=O)O[C@@H]3[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@@H](CO)O[C@H]3c2c1O TN3056
COc1ccc(C=CC(=O)c2ccc(O)cc2O)cc1O TN3057
COc1cc(C)c(C(O)=O)c(O)c1C\C=C(/C)CC\C=C(/C)CCC=C(C)C TN3058
COc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2OC)cc1 TN3059
COc1ccc(cc1)-c1ccc2cccc3C(=O)C(O)=Cc1c23 TN3060
COc1ccc(cc1CC=C(C)C)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 TN3061
COc1ccc(\C=C/[C@@H](C=C)c2ccc(O)cc2)cc1 TN3062
CO[C@H]1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(O)c(O)c1 TN3063
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1 TN3064
C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O TN3066
CC(=O)[C@@H]1c2cc(O)cc(O)c2C(=O)C[C@@]1(C)O TN3067
C[C@@]1(O)CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3[C@H](O)C12 TN3068
CC(C)c1c(O)ccc2c1CC[C@H]1[C@](C)(CCC[C@]21C)C(O)=O TN3069
CC(=O)OC\C=C(/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN3071
COc1cc(O)c2C(=O)C(Cc3ccc(O)cc3)COc2c1 TN3072
COC(C)(C)\C=C\C[C@@H](C)C1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C TN3074
COc1c(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c(OC)c1OC TN3075
COc1ccc2ccoc(CCCO)c12 TN3076
COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O TN3078
COc1cc(C[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O TN3079
COc1cc2oc(=O)ccc2c(OC)c1OC TN3080
O=C1NCCC=C1 TN3081
COc1cc2cc(oc2cc1OC)C(C)=C TN3082
CC(C)\C=C\c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 TN3083
COc1c(oc2c(CC=C(C)C)c(O)cc(O)c2c1=O)-c1cc(O)c(O)c(CC=C(C)C)c1 TN3084
COc1c(oc2c(C\C=C(/C)CCC=C(C)C)c(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1 TN3085
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1 TN3086
COc1cc(OC)c2C[C@H](O)[C@H](Oc2c1)c1ccc(OC)c(O)c1 TN3087
COc1c(O)cc2oc(-c3cc(CC=C(C)C)c(O)c(CC=C(C)C)c3)c(OC)c(=O)c2c1O TN3088
COc1c(O)cc2oc(-c3ccc(O)c(CC=C(C)C)c3)c(OC)c(=O)c2c1O TN3089
COc1ccc(cc1)-c1oc2c(OC)c(OC(C)=O)cc(OC(C)=O)c2c(=O)c1OC TN3090
COc1c(OC(C)=O)cc(OC(C)=O)c2c1oc(cc2=O)-c1ccccc1 TN3091
CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(cc2=O)-c1ccccc1 TN3092
COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(O)cc(O)cc2o1 TN3093
COc1cc(cc(OC)c1OC)C1CC(=O)c2c(O)cc(O)cc2O1 TN3094
COc1ccc(cc1)-c1oc2c(OC)c(O)cc(O)c2c(=O)c1OC TN3095
COc1c(O)c(OC)c2oc(cc(=O)c2c1O)-c1ccccc1 TN3096
CC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccccc1 TN3099
COc1ccc(C[C@@H]2[C@H](COC2=O)C(OC(C)=O)c2ccc(OC)c(OC)c2)cc1OC TN3100
CC(=O)c1ccc2oc(cc2c1)C(C)(C)O TN3101
CC(=O)c1cc2cc(oc2cc1O)C(C)(C)O TN3102
COC1=CC2(CC=C)C(C)C([C@@H](C2=O)C1=O)c1cc(OC)c(OC)c(OC)c1 TN3104
CC1(C)Oc2cc3O[C@@H](CC(=O)c3cc2C=C1)c1ccc(O)cc1 TN3105
COc1ccc2c(c1)occ(-c1ccc(O)cc1O)c2=O TN3106
CC1=C[C@H](O\C=C2/[C@H]3CC4=C([C@H]3OC2=O)C(C)(C)CCC4)OC1=O TN3107
OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)C=C\C2=C\C#N)[C@H](O)[C@@H](O)[C@@H]1O TN3109
CC(=CCCC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C)C TN3110
CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 TN3111
CCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 TN3112
CCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 TN3113
OC(CCc1ccccc1)CC(=O)CCc1ccc(O)cc1 TN3114
CC(=O)O[C@H](CCc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)cc1 TN3115
COc1cccc2oc3c(O)cccc3c(=O)c12 TN3116
OC1CCC(=O)N1 TN3117
COc1cc(CCC(O)CC(=O)CCc2ccccc2)ccc1O TN3118
COc1cc(O)c2C(=O)C[C@H](Oc2c1OC)c1ccccc1 TN3119
COc1c(OC(C)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1 TN3120
COc1cc(O)c2C(=O)\C(COc2c1)=C\c1ccc(O)cc1 TN3121
Oc1cc2nccc3c4ccccc4n(c23)c1=O TN3122
COc1ccc2ccoc(CO)c12 TN3123
CC(C)=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1 TN3124
COc1cc2nccc3c4ccccc4n(c23)c1=O TN3125
COc1cc(ccc1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12 TN3126
COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c2cc(OC)c(O)c(OC)c2)ccc1O TN3127
CCC(C)CC(=O)CC TN3128
CCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 TN3129
CC(=O)OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H]1O TN3130
COc1cc(OC)c(cc1OC)[C@H](C=C)c1ccccc1 TN3132
COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12 TN3133
COc1cc(\C=C\CO)cc2[C@@H](CO)[C@@H](Oc12)c1ccc(O)c(OC)c1 TN3134
COc1cc(O)cc2O[C@@H](CC(=O)c12)c1ccc(O)cc1 TN3135
COc1c(O)cc2oc(-c3cc(CCC(C)CO)c(O)c(CC=C(C)C)c3)c(OC)c(=O)c2c1O TN3137
CCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 TN3138
C[C@]12CCCC(=C)[C@@]1(O)C[C@@H](CC2)C(=C)C(O)=O TN3139
C[C@]12CCCC(=C)[C@]1(O)C[C@@H](CC2)C(=C)C(O)=O TN3140
C[C@@H](CC(=O)C=C(C)C)c1ccc(O)c(C)c1 TN3141
CC(=O)OC[C@@]1(O)C(C)=C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C TN3142
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O TN3143
COc1cc2O[C@@H](CC(=O)c2cc1O)c1ccc(O)cc1 TN3144
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C TN3145
C\C(CCC1OC(C)(C)OC1(C)C)=C/COc1c2ccoc2cc2oc(=O)ccc12 TN3146
C\C(CC[C@@H](O)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12 TN3147
Oc1cc2oc(cc(=O)c2cc1O)-c1ccccc1 TN3148
CC(C)[C@@H]1[C@H]2C[C@]3(C)C(C12)[C@@](C)(O)CC[C@H]3O TN3149
CC(C)=CCc1c(O)c(CC=C(C)C)c2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1 TN3150
COc1c(O)ccc2-c3ccc4cc5OCOc5cc4c3N(C)C(CC(C)=O)c12 TN3151
COc1ccc2-c3ccc4cc5OCOc5cc4c3N(C)[C@@H](CC(C)=O)c2c1OC TN3152
CC(=O)c1ccc2OC(C)(C)CC(=O)c2c1 TN3153
CC1(C)CCc2c(O)c(C(=O)c3ccccc3)c(O)cc2O1 TN3154
COC(=O)c1c(O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3155
CC(O)C1=C(Cc2ccoc2)C(=O)C2(C)CCCC(C)(C)C2C1 TN3156
COc1cc(ccc1O)[C@@H]1Oc2ccc3ccc(=O)oc3c2O[C@H]1C TN3157
COc1cc(ccc1O)[C@H]1Oc2ccc3ccc(=O)oc3c2O[C@@H]1CO TN3158
CC1(C)Oc2cc(O)c3c(oc4c(O)cccc4c3=O)c2C=C1 TN3160
CC1(C)Oc2cc3oc4c(O)cccc4c(=O)c3c(O)c2C=C1 TN3161
CC(=O)O[C@@]1(C)C[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12 TN3162
CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO TN3163
CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](C[C@@H](O)[C@@H]34)C(=C)C5=O)[C@H]12 TN3164
CC(C)c1cc2[C@H]3OC(O)[C@@]4(CCCC(C)(C)[C@@H]4[C@H]3O)c2c(O)c1O TN3165
C[C@]1(O)C[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12 TN3166
C[C@@]1(C[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12)OC(=O)\C=C\c1ccccc1 TN3167
CCO[C@H]1C=C(CO)[C@@H]2[C@H]1C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC TN3168
COc1cc2CCN(C=O)c3cc4cc(OC)c(OC)cc4c(c1OC)c23 TN3169
CC(C)=CCC\C(C)=C\Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1 TN3170
COc1cc2c(cc1O)oc1cc(OC)c(OC)c(OC)c1c2=O TN3171
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN3172
COc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1 TN3173
COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3 TN3175
COc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1 TN3176
CC1CC=CC(=O)O1 TN3177
CC(C)=CCc1c(O)c(C)c(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1 TN3178
Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O TN3179
CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN3181
CC(=O)O[C@]12[C@@H]3O[C@@H]3[C@@]3(CO3)[C@@]1(C)C[C@@H]1OC(=O)[C@@H]2[C@H]1C(C)(C)O TN3182
OC[C@H]1O[C@@H](OC2OC=CC3[C@H](OC(=O)\C=C\c4ccccc4)[C@@H]4O[C@]4(CO)C23)[C@@H](O)[C@@H](O)[C@@H]1O TN3185
COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O TN3186
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)cc4)C=C(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O TN3188
COc1cc(ccc1O)C(=O)O[C@@H]1C[C@](C)(O)C2[C@H]1C=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3193
COc1c(oc2cc(O)c(CC=C(C)C)c(O)c2c1=O)-c1ccc(O)c(O)c1 TN3195
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CCC1=CC(=O)OC1O TN3196
C[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CCC=C2C(O)=O)[C@]1(C)CCC1=CCOC1=O TN3197
CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)C1=O TN3198
Oc1ccc2[C@@H]3Oc4cc5OCOc5cc4[C@]3(O)COc2c1 TN3199
COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@]23O)c1 TN3200
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@@H](O)C=C1CCC(C)=O TN3201
C\C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C TN3202
CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)C1=O TN3203
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2[C@@](C)(O)C[C@@H](O)[C@@]12O TN3204
C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12 TN3206
COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(OC)c(OC)c1 TN3207
Oc1ccc2C=C(Cc3ccc(O)c(O)c3)COc2c1 TN3208
Oc1ccc2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 TN3209
COc1cc(O)c2c(c1)occ(-c1ccc(O)c(OC)c1)c2=O TN3210
COc1ccc(cc1O)[C@@H]1CCc2ccc(O)cc2O1 TN3211
COc1ccc(cc1)-c1cc(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)cc2o1 TN3212
CC(C)=CCc1cc(ccc1O)[C@@H]1CCc2ccc(O)cc2O1 TN3214
Cc1c(O)ccc2CC[C@H](Oc12)c1ccc(O)cc1 TN3215
Oc1ccc(C[C@@H]2COc3cc(O)ccc3C2=O)cc1 TN3216
COc1cc(CCC=CC(=O)CCc2ccccc2)ccc1O TN3217
C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)C4=CC[C@@H]5[C@]6(CC46CC[C@]2(C)C13)CC[C@H](O)C5(C)C TN3219
O=C1C[C@@H](C[C@H]2CC=CC(=O)O2)OC(CCc2ccccc2)=C1 TN3220
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12 TN3221
COC(=O)C1=CO[C@@H](O)C2[C@@H](CO)CC[C@H]12 TN3223
C[C@H]1CC[C@@H](O)[C@]2(C)CC[C@@H](C=C12)C(C)(C)O TN3224
COc1cc(OCC=C(C)CCC=C(C)C)cc2oc(=O)ccc12 TN3225
CC1(C)Oc2cc(O)ccc2C=C1 TN3226
COc1ccccc1[C@@H]1CC(=O)c2c(OC)cc(O)c(OC)c2O1 TN3227
Oc1ccc(C[C@H]2COc3cc(O)ccc3C2)cc1 TN3228
Oc1ccc(\C=C2/COc3cc(O)ccc3C2=O)cc1 TN3229
CC(C)=CCc1cc2ccc(O)cc2oc1=O TN3230
COc(cc1)ccc1C(Oc1c2ccc(O)c1)=CC2=O TN3231
COc1cc(O)c(OC)c2OC(CC(=O)c12)c1ccccc1 TN3232
Cc1cc(O)cc2oc(cc(=O)c12)-c1ccccc1 TN3233
COc1cc2cc(CC=C(C)C)c(=O)oc2cc1O TN3234
CC(C)c1ccc(C)c2cc(O)c(C)cc12 TN3235
CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3[C@@H](O)C[C@H]12)[C@@H](O)CO TN3236
COc1c(OCC=C(C)C)ccc2c(OC)c3ccoc3nc12 TN3237
COc1cc(cc(OC)c1O)[C@@H](OC(C)=O)[C@H](C)Oc1c(OC)cc(\C=C\C)cc1OC TN3240
COC(=O)[C@H]1C2[C@H](C[C@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]3(C)[C@H]2Cc2occc12)OC(C)=O TN3241
COC(=O)[C@H]1C2[C@H](C[C@@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]3(C)[C@H]2C[C@@]2(O)OC(=O)C=C12)OC(C)=O TN3242
COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)c(O)c1 TN3243
COc1ccc(C[C@]2(O)COc3cc(OC)cc(O)c3C2=O)cc1 TN3244
CO[C@H]1C[C@H]2C([C@H](C)O1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC TN3245
COc1cc2ccc(=O)oc2cc1OCC=C(C)C TN3247
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C TN3248
O=C([C@@H]1[C@@H](Cc2ccc3OCOc3c2)COC1=O)c1ccc2OCOc2c1 TN3249
CC(C)=CCc1cc2c(oc3cc4OC(C)(C)C=Cc4c(O)c3c2=O)c(O)c1O TN3250
CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@@](C)(CCC[C@]21C)C(O)=O TN3252
C[C@H]1CC(=O)[C@@](O)([C@@H]2C=C(C)C(=O)C[C@H]12)C(C)=C TN3253
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN3254
CCC(C)C(=O)O[C@H]1[C@@H]2[C@H]([C@@H](C[C@@H](OC(=O)\C=C(/C)CC)C2=C)C(C)C)\C(=C\C)C1=O TN3255
CO[C@H]1[C@H]2OC(=O)[C@]3(CCCC(C)(C)[C@H]23)c2c(O)c(O)c(cc12)C(C)C TN3257
CO[C@H]([C@H]1[C@@H](Cc2ccc(O)c(OC)c2)COC1=O)c1ccc(O)c(OC)c1 TN3258
COc1ccc2ccc(=O)oc2c1C(Cl)C(O)C(C)=C TN3259
CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@](C)(C=C)C=C3CC[C@@H]12 TN3260
C[C@@]1(CC[C@H]2C(CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]23C)=C1)C=C TN3261
C\C(C=C)=C/C[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]12C(O)=O TN3262
CC1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=C)CC[C@@H]12 TN3263
CC(C)=CCc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)c(CC=C(C)C)c2o1 TN3264
CCOC(C)(C)[C@@H](O)Cc1c(OC)ccc2ccc(=O)oc12 TN3265
C\C(CCC(OO)C(C)=C)=C/COc1c2occc2cc2ccc(=O)oc12 TN3266
C\C(C\C=C\C(C)(C)O)=C/COc1c2occc2cc2ccc(=O)oc12 TN3267
CC1=C(C=O)[C@H](C[C@@H]1O)C(=C)C=O TN3269
C[C@@H](OC(C)=O)C(=O)C[C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCc1ccoc1 TN3270
COc1ccc2ccc(=O)oc2c1C(C)=O TN3271
CC1(C)CCc2c(O)cc(O)c(C(=O)c3ccccc3)c2O1 TN3272
COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccc(O)cc1 TN3274
OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O TN3275
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O TN3276
COc1cc(OC)c2ccc(=O)oc2c1OCC=C(C)CCC=C(C)C TN3277
CCC(C)c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1 TN3278
COc1cc(OC)c2c(oc(-c3cc(OC)c(OC)c(OC)c3)c(OC)c2=O)c1O TN3279
CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12 TN3280
OC[C@H]1O[C@@H](Oc2c3ccoc3c(O)c3oc(=O)ccc23)[C@H](O)[C@@H](O)[C@@H]1O TN3281
C[C@@]1(O)CC[C@H]2[C@@](C)(COC(=O)\C=C\c3ccc(O)cc3)CCC[C@]2(C)[C@H]1CCC(=C)C=C TN3283
COc1cc(ccc1O)[C@H]1OC[C@]2(O)[C@@H]1CO[C@@H]2c1ccc(O)c(OC)c1 TN3285
CC(C)=CCC(Cc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O)C(C)=C TN3287
Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1 TN3288
C[C@H]1C[C@@H](OC(C)=O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O TN3289
COc1cc(O)c2C(=O)C(Cc3ccc(O)cc3)COc2c1O TN3290
C[C@]12C[C@@H](O)C[C@](C)(C(=O)O1)[C@@]2(O)\C=C\C(\CO)=C/C(O)=O TN3291
CC(C)=CCc1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O TN3292
CO[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC(C)=O)=C1[C@H](C[C@H]2C)OC(=O)C(C)=C TN3293
C[C@@H]1C[C@H](OC(=O)C(C)=C)C2=C(COC(C)=O)C(=O)O\C2=C\[C@@]2(C)CC[C@]1(O)O2 TN3294
C[C@@H]1C[C@H](OC(=O)C(C)=C)C2=C(CO)C(=O)O\C2=C\[C@@]2(C)CC[C@]1(O)O2 TN3295
CC(=O)O[C@H]1C[C@]2(C)O[C@@]22CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 TN3296
C[C@@H]1C[C@H](O)[C@@H]2[C@H](C3=C(C)CC[C@H]13)C2(C)C TN3297
C[C@@H]1C[C@H](O)C2=C(CO)C(=O)O\C2=C\[C@@]2(C)CC[C@]1(O)O2 TN3298
C\C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@@](C)(O2)\C=C2\OC(=O)C(COC(C)=O)=C12 TN3300
CC(=O)OC\C=C(/CO)C(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN3302
CC(=O)OCC1=CCC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO TN3303
CO[C@]12C[C@@]3(C)CCCC(=C)[C@@H]3CC1=C(C)C(=O)O2 TN3304
C\C=C(/C)C(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN3305
C\C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H](O)CCC(=C)[C@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 TN3306
COc1cc2c3ccnc4ccc(=O)n(c2cc1OC)c34 TN3307
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 TN3308
CC(C)[C@@]12CC[C@@]3(OO1)C(CC[C@H]1[C@@](C)(CCC[C@]31C)C(O)=O)=C2 TN3309
COc1cc2C[C@H]3COC(C)(C)OC[C@@H]3[C@@H](c3ccc(O)c(OC)c3)c2cc1O TN3311
C\C=C(\C)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12 TN3312
Cc1cc(O)c2c(Cc3cc(O)cc(O)c3OC2=O)c1 TN3316
CC(O)CCC1(O)C(C)=CC(=O)CC1(C)C TN3317
CC1(C)CCC2=C(O1)C(=O)c1c(O)cccc1C2=O TN3318
Oc1ccc2c3ccnc4ccc(=O)n(c2c1)c34 TN3319
COc1cc2c(oc3cccc(O)c23)c(OC)c1O TN3320
COc1cccc2C(=O)C3=C(OC(C)(C)CC3)C(=O)c12 TN3321
COc1ccc2c3cc[n+]([O-])c4ccc(=O)n(c2c1)c34 TN3322
CCO[C@@H]1[C@@H](OC(=O)C(C)=C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(CO)\CC\C=C1\C=O TN3324
COc1cc2oc3C(O)Oc4c(O)cccc4-c3c(=O)c2c(O)c1C TN3327
CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O TN3328
CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O TN3329
CC(C)=CC(=O)C\C(C)=C\CC[C@](C)(O)C=C TN3330
CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C=C(CO)[C@]2(O)CO TN3331
[H][C@@]12C(=O)C=C(C)[C@](O)(CO)[C@@]1(C)CCCC2(C)C TN3332
COC(C)(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1 TN3333
CC(C)=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 TN3335
COc1cc(\C=C\C)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3337
Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 TN3338
CCCCCCCCc1ccc(CCC(COC(C)=O)(COC(C)=O)NC(C)=O)cc1 TN3339
CC(OC/C=C/C#CC#C/C=C/C1=CC=CO1)=O TN3340
COC1=C[C@]23CCCN2CCc2cc4OCOc4cc2[C@@H]3[C@@H]1OC(C)=O TN3341
COc1cc2oc(=O)ccc2cc1[C@@H]1O[C@@H](OC(C)=O)[C@@]2(C)O[C@@H]12 TN3342
CC(=O)OC\C=C(/C)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O TN3343
CC(=O)O[C@H]1C[C@H]2[C@@](C)(CCC[C@]2(C)C(O)=O)[C@@H]2CC[C@@H]3C[C@]12CC3=C TN3344
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O TN3346
COc1cc(\C=C\C)cc2[C@@H](C)[C@@H](Oc12)c1ccc(OC)c(OC)c1 TN3348
OC[C@H]1CC[C@H]2C1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O TN3349
COc1cc(CO)c2c(OC)c(-c3c(OC)cc(C)c4c(OC)cc(=O)oc34)c(=O)oc2c1 TN3352
O[C@@H]1CO[C@@H](O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H]1O TN3353
CC(=O)OC\C=C(/C)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C TN3354
CC1(C)OCC(O1)[C@@H](\C=C\c1ccc(O)cc1)c1ccc(O)cc1 TN3355
OC[C@@H](O)[C@@H](\C=C\c1ccc(O)cc1)c1ccc(O)cc1 TN3356
C\C(CC[C@H]1C(=C)CC[C@H]2[C@](C)(CCC[C@]12C)C=O)=C/CO TN3357
COc1cc2OC(C)(C)C(=Cc2cc1OC)C1CC(C)(C)Oc2cc(OC)c(OC)cc12 TN3358
CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C(CC[C@@]23C)[C@]2(C)CC[C@](O)(O2)C(C)(C)O)[C@@]1(C)CCC(O)=O TN3362
COc1ccc(CC[C@H]2Cc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C(=O)O2)cc1 TN3363
COc1ccc(CC[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)cc1 TN3364
CC1=C2NC(C)(C)CC2=NC(C)(C)C1=O TN3365
COc1cc(ccc1O)-c1cc2cc(\C=C\CO)cc(OC)c2o1 TN3366
COC(=O)[C@]1(CO)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@H]1\C(CN23)=C/C TN3367
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 TN3368
COC(=O)c1c(O)cc(O)c(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1C TN3369
CC(C)=CCC\C(C)=C\CC[C@@]1(C)Oc2cc(O)cc(C)c2C=C1 TN3370
CC(C)=CCCC(=C)[C@H]1CC[C@@](C)(O)C[C@H]1c1c(C)cc(O)cc1O TN3371
Oc1ccc([C@@H]2Cc3cc(O)cc(O)c3[C@@H]([C@@H]2c2cc(O)cc(O)c2)c2ccc(O)cc2O)c(O)c1 TN3372
CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO TN3373
C\C(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C)=C/C(O)=O TN3374
COc1cc2CC3C(COC3=O)C(c3ccc(O)c(OC)c3)c2cc1O TN3375
C[C@H]1[C@@H](O)Cc2ccncc12 TN3378
COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC TN3379
CC(C)=CCc1c2occc2c(O)c2ccc(=O)oc12 TN3380
O[C@H]1CCc2ccc(O)c(c2)-c2cc(CC[C@H](O)C1)ccc2O TN3381
Oc1ccc2CC\C=C\C(=O)CCc3ccc(O)c(c3)-c1c2 TN3382
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC[C@@]3(C)O[C@H]3C12)C(O)=O TN3384
CC(=O)\C=C\C1C(C)=CCCC1(C)C TN3385
CC1(C)CCc2c(O)cc3occ(-c4ccc(O)cc4)c(=O)c3c2O1 TN3386
C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]3(C1)[C@@H]2CCCN3C TN3387
CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12 TN3389
COc1cc(cc(OC)c1O)C1C2C(COC2=O)Cc2c(O)c3OCOc3cc12 TN3390
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C TN3391
COc1cc2OC[C@H]3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)[C@H]3c2cc1OC TN3392
COC(=O)C1=C[C@@H]2C(CCC(=C)[C@H]2CC1)[C@@H](C)C(O)=O TN3394
COc1cc(O)c2C(=O)[C@H](OC(C)=O)[C@H](Oc2c1)c1ccccc1 TN3395
CC(=O)Oc1ccc(cc1)-c1coc2cc3OC(C)(C)C=Cc3c(O)c2c1=O TN3396
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@](C)(CC(O)=O)[C@@H](CC3)C(C)(C)C=O TN3399
Cc1cc(=O)c2c(C)cc(O)cc2o1 TN3400
COc1cc(O)c2C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C3c2c1 TN3401
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O TN3402
OC1C(OC2C=CC(=O)OC12)c1ccccc1 TN3404
COc1c(O)cc(CC2(O)Oc3cc(O)cc(O)c3C2=O)cc1O TN3405
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C TN3408
O=c1cccc2[C@@H]3C[C@H](Cn12)[C@H]1CCCCN1C3 TN3409
C1N[C@@H](CC=C1)c1cccnc1 TN3410
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(oc(cc2=O)-c2ccccc2)c1OC TN3411
COc1cc2oc(=O)ccc2cc1[C@@H](OC(=O)C(\C)=C\C)[C@@H](O)C(C)(C)O TN3415
COc1cc2oc(=O)ccc2cc1[C@H](O)[C@H](OC(=O)C(\C)=C/C)C(C)(C)O TN3416
COc1c(C)c(O)c2C(=O)CC(Oc2c1C)c1ccc(O)cc1 TN3417
COc1cc2oc3c(OC)ccc(O)c3c(=O)c2c(O)c1OC TN3418
COc1cc2oc3c(OC)ccc(O)c3c(=O)c2c(OC)c1OC TN3419
Oc1ccc2-c3oc4cc(O)ccc4c3COc2c1 TN3420
CC1(C)Oc2cc3oc-4c(COc5cc(O)ccc-45)c3cc2C=C1 TN3421
C[C@H]1CCC(=O)C2=CC(=O)[C@@H]3[C@H](C3(C)C)[C@]12C TN3423
CC1(C)[C@H]2CC[C@]34CC(=C)[C@@H](C[C@H]3[C@]2(C)CCC1=O)[C@@H](O)C4=O TN3424
OC[C@H](C=C)[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 TN3425
C[C@H](CC\C=C(\C)C(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 TN3426
C[C@@H]1O[C@@H](Oc2ccc(cc2)-c2cc(=O)c3c(O)cc(O)cc3o2)[C@H](O)[C@H](O)[C@H]1O TN3430
OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(cc(=O)c23)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN3431
CN1C2CCC1CC(C2)OC(=O)C(=C)c1ccccc1 TN3433
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(=C)c1ccccc1 TN3434
CN1CCc2cc3OCOc3c3-c4ccccc4C[C@H]1c23 TN3435
C[C@@H](CCC=C(C)C)c1ccc(C)cc1 TN3436
COc1ccc(cc1)-c1oc2c(OC)c(O)c(OC)c(O)c2c(=O)c1OC TN3437
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]12 TN3440
C[C@@H]1CC(=O)C=C2C=C[C@@H]3[C@@H](C3(C)C)[C@@]12C TN3442
COc1c(O)cc2C(=O)Nc3cc4ccccc4c1c23 TN3443
COc1cc2C(=O)Nc3cc4ccccc4c(c1OC)c23 TN3444
COc1ccc2cc3NC(=O)c4cc(OC)c(OC)c(c34)c2c1 TN3445
COc1cc2C(=O)Nc3cc4ccccc4c(c1O)c23 TN3446
C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O TN3449
COc1cc(OC)c2ccc(=O)oc2c1OCC=C(C)C TN3450
C[C@@H]1CC[C@@H]2C3[C@@H](OC2=O)C(C)=CC[C@@H]13 TN3451
C[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H](O)[C@]23OC1=O TN3452
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O TN3453
COc1ccc(cc1OC)-c1oc2cc(OC)c(OC)c(OC(C)=O)c2c(=O)c1OC TN3454
CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@@]22C[C@@]45C=C[C@]2(C)C4[C@H]2OC(=O)C(=C)[C@@H]2CC[C@@]5(C)O)[C@@H]13 TN3455
COc1cc(CCc2cccc(O)c2)cc(O)c1Cc1ccc(O)cc1 TN3457
CC(=O)CC[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@H](C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3459
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1 TN3460
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 TN3461
CC1(C)Oc2cc(O)c3c(oc(cc3=O)-c3ccc(O)cc3)c2C=C1 TN3465
COc1cc(CCN(C)C)c2ccc3ccccc3c2c1OC TN3466
CC(C)=C1C[C@H]2C(=C)CCC[C@]2(C)CC1=O TN3467
CC(C)=CCCC1(C)Oc2c(C)cc(O)cc2C=C1 TN3468
COc1cc(cc(OC)c1O)-c1ccccc1 TN3469
CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@H](C[C@@H](O)[C@@H]34)C(=C)C5=O)[C@H]12 TN3470
CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O TN3471
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C TN3472
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O TN3473
CC(=C)[C@@H]1CC[C@]2(C)CC[C@@]3([C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O TN3479
CCOC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O TN3480
C[C@@H]([C@H]1CC[C@H]2C3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)C1CC(C)=C(CO)C(=O)O1 TN3481
C\C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@]3([C@H](OC(C)=O)[C@@H]12)C(=C)COC3=O TN3482
CS\C=C/C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@]3([C@H](OC(C)=O)[C@@H]12)C(=C)COC3=O TN3483
C[C@H]1CC[C@H](OC(=O)\C=C/S(C)=O)C2[C@@H](OC(C)=O)[C@@]3(C[C@]12C)C(=C)COC3=O TN3484
C[C@H]1CC[C@H](O)C2[C@@H](O)[C@@]3(C[C@]12C)C(=C)COC3=O TN3485
CS\C=C/C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@]3([C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(=C)COC3=O TN3486
COc1cc(\C=C\C=O)cc2[C@@H](CO)[C@@H](Oc12)c1ccc(O)c(OC)c1 TN3487
O[C@@H]1CCN2C[C@H]3C[C@H](Cn4c3cccc4=O)[C@H]2C1 TN3488
CC(=C)C1Cc2c(O1)ccc1[C@H]3COc4cc(O)ccc4[C@@H]3Oc21 TN3489
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O TN3490
COc1cc(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12 TN3491
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@]3(C)C2[C@H]1C)OC(C)=O TN3492
COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O TN3495
Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1 TN3496
Cl.NCc1ccccc1 TN3497
[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C TN3499
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1 TN3500
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(O)=O TN3501
CC[C@H]1[C@@H]2O[C@@H]3OC=C(C(O)=O)[C@@]33CC=C(OC1=O)[C@H]23 TN3502
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C\C(C)=C\CC1)OC(=O)c1ccoc1 TN3503
COc1cc(ccc1O)C(=O)CCO TN3504
CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 TN3505
CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@]2(O)C1 TN3506
COC(=O)[C@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 TN3507
CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)C=Cc1ccc(O)cc1 TN3512
C[C@H](CC(=O)C=C(C)C)[C@@H]1CCC(C)=CC1=O TN3514
C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O TN3515
C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@@H](O)[C@](C)(O)C=C1 TN3516
C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H](O)[C@@](C)(O)C=C1 TN3517
CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2c2cc([C@@H]3C[C@H](C)C(=O)O3)n3CCCC[C@H]1c23 TN3519
[H][C@@]12[C@@H](O)C=CC=C1C[C@]1(SC)N2C(=O)[C@@](CO)(SC)N(C)C1=O TN3520
COc1cc(ccc1O)[C@@H]1COc2cc(OC)c-3c(CCc4cc(O)ccc-34)c2[C@@H]1OC(C)=O TN3521
COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c1ccc(OC)c(O)c1 TN3522
C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C TN3523
C[C@H](CC[C@H]1C(C)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3524
COc1cc(O)c2c(c1)oc1C(O)Oc3c(O)cccc3-c1c2=O TN3526
COC(=O)[C@H]1C2[C@@H](O)C[C@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]3(C)[C@H]2Cc2occc12 TN3527
CC(=O)O[C@H]1[C@@H]2OC(=O)[C@H]3C2[C@H](Cc2occc32)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]12O TN3528
OC[C@H]1C2[C@@H](OC1=O)C=C(CO)[C@H]2CO TN3534
CC1(C)CCc2c(O1)cc1oc3cc(O)c4OC(C)(C)CCc4c3c(=O)c1c2O TN3535
COc1cc2ccc(=O)oc2c2C=CC(C)(C)Oc12 TN3537
C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)\C=C\C(CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3538
COc1ccc(CCCc2ccc(O)cc2)c(O)c1 TN3539
CC(C)=CCc1cc(CCCc2ccc(O)cc2O)ccc1O TN3540
COc1ccc(CCCc2ccc(OC)c(O)c2)c(O)c1 TN3541
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@@]12C TN3544
C[C@]12C[C@H]3OC(=O)C[C@]3(CCO1)O2 TN3546
CC(C)(O)C[C@H]1CC[C@]2(C)C1[C@@](C)(O)CC[C@H]2O TN3547
COC1=C[C@@]2(CC=C)[C@H](C)[C@H](OC2=CC1=O)c1ccc2OCOc2c1 TN3549
C[C@@H](C1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)C=CC(=O)C4(C)C)N(C)C TN3550
CN[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@H]([C@H](O)C[C@@]4(C)[C@@H]2CC[C@H]3C1=C)C(C)=O TN3551
C[C@@H](CC[C@H]1C(C)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3552
COc1cc(ccc1O)C(=O)C(O)CO TN3553
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4([C@@H]3C[C@H]12)C(=O)Nc1cc(OC)ccc41 TN3555
CC(C)(O)[C@@H]1CC[C@](C)(O1)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)C3CC[C@@]21C TN3557
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C(CC[C@@]32C)[C@@](C)(O)CC2OC2=O)C1(C)C TN3558
C[C@](O)(CC1OC1=O)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C TN3559
C[C@](O)(CC1OC1=O)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C TN3560
CC(C)(O)[C@@H]1CC[C@](C)(O1)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]21C TN3561
COc1cc(cc(OC)c1O)[C@H]1Oc2c(OC)cc3c(oc4ccccc4c3=O)c2O[C@@H]1CO TN3562
CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@@H]3OC(=O)[C@H]4C3[C@H](Cc3occc43)[C@@]12C TN3563
CC(=O)O[C@H]1CCC(C)(C)[C@@]2(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3[C@H](Cc4occc4[C@@]3(C)O)[C@@]12C TN3564
COC(=O)[C@H]1C2[C@H](C[C@]3(O)C(C)(C)CC[C@H](O)[C@]3(C)[C@H]2Cc2occc12)OC(C)=O TN3565
COC(=O)[C@H]1C2[C@H](C[C@@]3(O)C(C)(C)CCC(=O)[C@]3(C)[C@H]2Cc2occc12)OC(C)=O TN3566
CCCC1CC(=O)Oc2c1c1OC(C)(C)C=Cc1c(O)c2C(=O)C(C)C(C)O TN3567
OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 TN3568
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@H]14)CC[C@@H]1C[N@+]4([O-])C[C@@H](C)[C@@H](C[C@@H]4[C@]21C)C3=O TN3569
CC(=O)C=C1CC(C)(C)NC(C)(C)C1 TN3570
COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC TN3574
CCCCCc1cc(OC(C)(CCC=C(C)C)C=C2)c2c(O)c1 TN3575
COc1cc2CC[C@@]3(CCC(=O)C=C3)c2c(O)c1 TN3579
COc1cc2CC[C@@]3(CC[C@H](O)CC3)c2c(O)c1 TN3580
CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1 TN3581
COc1cc(O)cc(CCc2ccc(OC)c(O)c2CC=C(C)C)c1 TN3582
C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(CC[C@]12C)C=O TN3583
[O-][n+]1ccc2c3ccccc3n3c2c1ccc3=O TN3584
CC1=C2C[C@@](O)(CC[C@@]2(C)C=CC1=O)C(C)(C)O TN3585
COc1c(O)cc2oc(Oc3ccc(O)cc3)cc(=O)c2c1O TN3587
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]2(C)[C@@H](O)CC[C@@H]12 TN3589
CCCCCC\C=C/CCCCCCCc1cccc(O)c1 TN3594
CCN1C[C@]2(CO)CC[C@H](O)C34[C@H]1C([C@H](OC)C23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)C1[C@H]2O TN3597
Cc1c(C(O)=O)c(O)cc(C(c(c2c(c([C@H]([C@@H]([C@H]3O)O)O[C@H](CO)[C@H]3O)c3O)O)c3O)=O)c1C2=O TN3601
CC(=O)OC[C@]1(C)CC[C@@H]2OC(=O)[C@]34C[C@@H](C[C@@H](O)C3[C@]22CO[C@@H](O)C12)C(=C)C4=O TN3602
OC1Cc2ccc(O)c(c2)-c2cc(CCC(=O)C(O)C1O)ccc2O TN3603
COc1ccc2ccc(=O)oc2c1\C=C\C(C)(O)CO TN3605
COc1cc-2c(C[C@@H]3NCCc4c(OC)c5OCOc5c-2c34)cc1O TN3606
CC1(C)CC=C(C2OC(=O)c3ccccc23)C(=O)O1 TN3607
O[C@@H]1C[C@H]2[C@@H](C[C@@]3(O)CO[C@@H](O1)C23)OC(=O)c1ccc(O)cc1 TN3608
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O TN3609
COc1cc(CCN(C)C)c(O)c-2c1C(=O)c1ccc(OC)c(O)c-21 TN3612
COc1cc(O)c(cc1O)C(=O)c1ccccc1 TN3614
Cc1c(O)cc2O[C@H]([C@H](O)C(=O)c2c1O)c1ccc(O)c(O)c1 TN3615
C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)C4=C(O)C(=O)[C@@]3(C)[C@]11O[C@H]1C[C@H]2c1ccoc1 TN3616
COc1cc2ccc(=O)oc2c(CC=C(C)C)c1O TN3617
Cc1c(O)cc2O[C@@H]([C@@H](O)C(=O)c2c1O)c1cc(O)c(O)c(O)c1 TN3618
COc1cc(ccc1O)[C@H]1Oc2c(cc(CC(C)O)cc2O)[C@@H]1CO TN3619
CC1(C)CCC[C@@]2(C)C1=C(O)C(=O)c1cc(O)c(O)cc21 TN3620
O[C@H](CCCCc1ccc(O)cc1)CCc1ccc(O)cc1 TN3621
O[C@@H]1[C@H](O)C2[C@@]3(O)CN4CCC[C@@]24[C@@H]1c1cc2OCOc2cc31 TN3622
CN1C(=O)C(=O)c2cc3OCOc3c3c4ccccc4cc1c23 TN3623
O[C@H](Cc1cccc(c1)C(O)=O)C(O)=O TN3624
OCCC1=C(CO)[C@@H](CO)CC1 TN3625
COC(=O)c1cocc2c(C=O)ccc12 TN3626
CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O TN3627
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]11Cc2c(O1)c1C(=O)NC(=O)c1cc2O TN3630
CN1Cc2c3OCOc3ccc2[C@@H]2[C@H](O)Cc3cc4OCOc4cc3[C@H]12 TN3632
COc1ccc2c(C(=O)N3CCc4cc5OCOc5cc4C(=O)C23O)c1OC TN3633
CC1(C)CCC[C@@]2(C)[C@H]1CCC(=C)[C@@H]2\C=C\C1=CC(=O)OC1O TN3634
CC(=O)O[C@@H]1[C@H]2C(=C)[C@H]3C[C@H]3[C@]2(C)C=C2OC(=O)C(C)=C12 TN3635
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C=C2OC1=O TN3640
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O TN3641
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@H]2OC1=O TN3642
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)[C@H](O)[C@]2(O)OC1=O TN3643
CC(C)=CCC\C(C)=C\Cc1c(O)cc(\C=C\c2ccc(O)cc2O)cc1O TN3644
COC(=O)C1=C\CC\C(C)=C\C2OC(=O)C(=C)[C@H]2C(OC(=O)C(C)(Cl)C(C)O)C\1OC(C)=O TN3645
CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)C2[C@H]1C[C@@H](OC(C)=O)[C@@]2(O)CCl TN3646
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\C)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C TN3647
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1 TN3648
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 TN3649
CC(C)[C@H]1CC[C@]2(C)O[C@H]1C1[C@@H]2CC[C@@]1(C)O TN3650
COc1ccc(\C=C\C(=O)O[C@H](C(O)=O)[C@](O)(Cc2ccc(O)c(O)c2)C(O)=O)cc1O TN3652
OCCc1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 TN3653
C[C@H]1CCCc2c(O)cc(C(C)=C)c(C)c12 TN3656
CC(=O)OC\C=C\c1ccccc1 TN3659
Oc1ccc(\C=C\C(=O)OC\C=C\c2ccccc2)cc1O TN3660
Oc1ccc(\C=C\C(=O)OC\C=C\c2ccccc2)cc1 TN3661
COc1ccc(\C=C\C(=O)OC\C=C\c2ccccc2)cc1O TN3662
CC(C)[C@@]1(O)C[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C TN3663
CC(=O)\C=C\C1=C(C)[C@@H](O)[C@@H](O)CC1(C)C TN3664
COc1ccc2ccc(=O)oc2c1\C=C/C(C)=C TN3665
COc1ccc(\C=C/C)cc1OC TN3666
CO[C@H]1[C@@H](O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN3667
COc1cc(\C=C/C(=O)NCCc2ccc(O)cc2)ccc1O TN3669
Cc1cc(=O)c2COc3cc(O)c(O)cc3-c2o1 TN3670
CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O TN3671
Oc1ccc2[nH]c3c(O)cc(C=O)cc3c2c1 TN3673
Oc1cc2[nH]c3c(O)cccc3c2cc1C=O TN3674
COc1cc(cc(OC)c1O)[C@H]1Oc2c(OC)cc3ccc(=O)oc3c2O[C@@H]1CO TN3675
OCCC1(O)CCC(=O)CC1 TN3677
O[C@H]1CC(=O)C[C@@H]2OCC[C@@]12O TN3678
O[C@@H]1CC[C@]2(O)CCO[C@H]2C1 TN3679
O[C@@]12CCO[C@@H]1CC(=O)C=C2 TN3680
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C TN3681
CC1(C)C[C@H](O)[C@]23CC[C@@H](O)[C@](C)(CC[C@@H]12)C3 TN3683
C\C(CO)=C\Cc1c(O)cc2oc(C)cc(=O)c2c1O TN3684
OC1Oc2ccccc2-c2c1oc1cc(O)cc(O)c1c2=O TN3685
C[C@H](CC\C=C(/C)C(O)=O)C1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C TN3686
O[C@@H]1C[C@H](O)\C(=C\C#N)C=C1 TN3687
COc1cc(O)cc2CCc3cc(O)ccc3-c12 TN3688
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc2o1 TN3690
CC(C=C)=CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O TN3691
O[C@H]1C=C[C@@H](O)[C@H](O)[C@@H]1O TN3692
COc1cc(\C=C\C=O)ccc1O TN3694
CCCC1NCCCC1.Cl TN3695
CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC TN3697
C[C@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C TN3698
CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(O)[C@@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@@]13C TN3700
CC(C)(O)[C@@H]1[C@H]2C[C@@]3(C)[C@@]4(CO4)[C@@H]4O[C@@H]4[C@@]3(O)[C@@H]1C(=O)O2 TN3701
COc1cc2CCN(C)C([C@H]3OC(=O)c4c3ccc3OCOc43)c2cc1OC TN3702
OC[C@H]1O[C@@H](OCCC2(O)C=CC(=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O TN3703
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(=C)[C@H]4[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C TN3704
COC(=O)CC[C@]12C[C@]11CC[C@]3(C)C(CC[C@@]3(C)[C@@H]1C[C@H]1OC(=O)C(=C)[C@@H]21)[C@H](C)CC\C=C(/C)C=O TN3705
CC1(C)CCC[C@@]2(C)[C@H]1C[C@H](O)C(=C)[C@@H]2\C=C\c1ccoc1 TN3706
CC1(C)CCCC2(C)C1CCC(=C)C2C1OOC(O)CC(C=O)=C1 TN3707
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CC(O)OC3=O)C(=C)CC[C@@H]12 TN3708
CCOC1CC(=CCC2C(=C)CCC3C(C)(C)CCCC23C)C(=O)O1 TN3709
CC1(C)CCC[C@@]2(C)[C@H]1CCC(=C)[C@@H]2\C=C\c1ccoc1 TN3710
CC(C)=CCc1c(O)ccc2c1oc(cc2=O)-c1ccc(O)c(O)c1 TN3711
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)C[C@@H](O)[C@H]12 TN3712
COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1 TN3713
COc1cc2[C@@H]3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O TN3714
COc1c2OCOc2cc2CCN(C)Cc3c4OCOc4ccc3CC(=O)c12 TN3715
COc1cc(OC)c2ccc(=O)oc2c1CC=C(C)C TN3716
CCC1CC2CN3CCC4(C(=O)Nc5cc(OC)c(OC)cc45)C(C2)(C13)C(=O)OC TN3717
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@@H](CC(C)(C)[C@H]1[C@H](O)C3)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3718
COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@]23O)c1CC=C(C)C TN3719
O[C@@H](C\C=C\[C@H]1CC=CC(=O)O1)C[C@@H](O)\C=C\c1ccccc1 TN3721
C[C@@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@H](O)[C@H](O)[C@H]1O TN3722
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 TN3723
O[C@H](C[C@@H](O)\C=C\c1ccccc1)C[C@H]1CC=CC(=O)O1 TN3724
C[C@H](CCC=C(C)C)C1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C TN3725
CC(C)=CCc1c(oc2cc3OC(C)(C)C=Cc3c(O)c2c1=O)-c1ccc(O)cc1O TN3726
COc1cc(O)c2c(oc3cc(O)c(O)c(CC=C(C)C)c3c2=O)c1C(C)(C)C=C TN3727
CC(C)=CCc1c(O)c(O)cc2c1oc1cc(O)c(c(O)c1c2=O)C(C)(C)C=C TN3728
Cc1coc2C[C@@]3(C)[C@H](O)CC[C@@](C)(O)[C@@H]3C(=O)c12 TN3731
COc1ccc(O)c(OC)c1C(=O)OCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3732
CC(C)[C@H]1CCC(C)=C[C@@H]1C(C(=O)\C=C\c1ccc(O)cc1)C(=O)\C=C\c1ccc(O)cc1 TN3733
C\C(CO)=C/COc1ccc(CCCO)cc1 TN3734
C[C@H](C\C=C\C(C)(C)O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C TN3735
C[C@H](CCC(O)C(C)=C)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C TN3736
C[C@H](CC[C@H](O)C(C)(C)O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C TN3737
CC(C)CCC[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C TN3738
OCC[C@@]12CCC(CO1)C2(O)CO TN3739
CC(C)=CC1Oc2cc(O)ccc2-c2oc3cc(O)cc(O)c3c(=O)c12 TN3740
COc1cc(\C=C\C2=CC(=O)CC(O2)c2ccc(O)c(OC)c2)ccc1O TN3741
CC(C)C(=C)CC[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44CC34CC[C@]12C TN3742
CC(C)=CCC[C@@]1(C)Oc2cc(C)cc3O[C@]4(C)CC[C@H]1[C@@H](C4)c23 TN3743
CC(C)=CC1Oc2cc(O)ccc2-c2oc3c4C=CC(C)(C)Oc4cc(O)c3c(=O)c12 TN3744
C[C@H](CC[C@H](C)C(C)=C)C1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]44CC34CC[C@]12C TN3745
N[C@H](CC(N)=O)C(O)=O TN3748
O[C@H]1[C@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O TN3752
COc1cc(OC)c(cc1O)[C@@H](C=C)c1ccccc1 TN3754
CC(C)(O)[C@H](O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]21C TN3755
CC(C)=CCCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)C3CC[C@@]21C TN3756
C[C@H]1COC2=C1C(=O)[C@](O)(CC(C)=O)c1c2ccc2c(C)cccc12 TN3760
C[C@H]1COC2=C1C(=O)[C@@](O)(CC(C)=O)c1c2ccc2c(C)cccc12 TN3761
CC1=C(O)C(=O)c2c(ccc3c(C)cccc23)C1=O TN3762
[H][C@]12C[C@@H]3[C@H](C)CN1C[C@H]1CCC4=C5C(CCO4)=C(C(=O)OC)C(=C5[C@@]21C)C3=O TN3763
[H][C@]12C[C@@H]3[C@H](C)CN1C[C@H]1CCC(=O)C4=C(C(C3O)=C(C4CCO)C(=O)OC)[C@@]21C TN3764
[H][C@]12C[C@@H]3[C@H](C)CN1C[C@H]1CCC(=O)C4=C(C(C3N)=C3C4CCOC3=O)[C@@]21C TN3765
COC(=O)C1=C2CCOC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@H]4N(C[C@@H](CC3)[C@@]24C)C[C@H]1C TN3766
C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@@H](C[C@@]54C(=O)[C@@H]1C[C@@H]2[C@@]34C)C(O)=O TN3767
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@H]14)CC[C@@H]1CN4C[C@@H](C)[C@@H](C[C@@H]4[C@]21C)C3=O TN3769
C[C@@H]1CN2C[C@H]3CCC(=O)C4=C(CCO)CC[C@@]44C(=O)[C@@H]1C[C@@H]2[C@@]34C TN3770
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1O TN3771
CC(C)(O)c1ccc2c(CC[C@H]3[C@](C)(CO)CCC[C@]23C)c1 TN3773
C[C@@H]([C@H]1CC[C@H]2C3[C@H](O)C=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)C1CC(C)=C(CO)C(=O)O1 TN3775
CC(C)=CCC\C(C)=C\CC[C@]1(C)Oc2cc(C)c(C(O)=O)c(O)c2C=C1 TN3777
COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1 TN3778
C[C@H]1CCCCCCCc2cc(O)cc(O)c2C(=O)O1 TN3779
C\C=C(\CO)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN3780
COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@H](O)C2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC TN3781
CC(=C)C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)\C=C(CO)\CC\C=C(C=O)/[C@@H]1O TN3782
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)[C@H]3O)C(O)=O TN3784
C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C TN3785
COc1cc(\C=C\C(=O)OC[C@@H](O)c2ccc(O)cc2)ccc1O TN3788
CC(C)CCCC(C)CCCC(C)CCCC1(C)Oc2c(C)cc(O)cc2C=C1 TN3789
CC(C)c1ccc2c(CC[C@H]3[C@](C)(CO)CCC[C@]23C)c1 TN3790
Cc1coc2cc(C)c3ccc(C)cc3c12 TN3798
COc1ccc2c(cc3N(C)CCc4cc5OCOc5c2c34)c1OC TN3799
COc1cc2OCc3oc4c5C=CC(C)(C)Oc5ccc4c(=O)c3-c2cc1OC TN3800
COc1cc(\C=C\CO)cc2C(CO)C(Oc12)c1ccc(O)c(OC)c1 TN3802
COc1ccc(cc1C(=O)C=C(C)C)C(C)=O TN3803
COc1c2CCN(C=O)c3cc4ccccc4c(c(OC)c1OC)c23 TN3804
COc1cc2oc(=O)ccc2cc1C(=O)C=C(C)C TN3805
COc1c(CC=C(C)C)c(O)cc2OCC(=Cc12)c1ccc(O)cc1O TN3806
C[C@@H]1CC[C@]2(CO)[C@H](C=CC=C2C(O)=O)[C@@]1(C)CCc1ccoc1 TN3807
COC(=O)C(Cc1ccc2OCOc2c1)C(=C/c1ccc2OCOc2c1)\C(=O)OC TN3808
Cc1c(O)cc2ccc3c(C)c(O)ccc3c2c1C=C TN3809
COc1cc2cc(oc2c2C=COC=Cc12)C(C)(C)O TN3810
COc1cc2OCc3oc4c5C=CC(C)(C)Oc5cc(O)c4c(=O)c3-c2cc1OC TN3811
CC(=O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C TN3812
CC=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN3814
C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN3815
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C TN3816
CC1(C)CC[C@H](O)[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)C3[C@@H](O)[C@H](O)[C@@]12O TN3817
COc1cc(O)c2c(c1)oc(Oc1ccc(O)cc1)cc2=O TN3818
Oc1ccc(Oc2cc(=O)c3c(O)cc(O)cc3o2)cc1 TN3819
O=C(C1=CC[C@@]([C@@](CC1)(O)[C@]2([H])[C@@](C)(/C=C/C=C(C(O)=O)\C)O3)(CC2)C3=O)O TN3820
C[C@@H]1C[N@@+]2([O-])C[C@H]3CCC4=C5[C@H](CC4)[C@@H](C[C@@]54C(=O)[C@@H]1C[C@@H]2[C@@]34C)C(O)=O TN3821
OC1=C2c3cc4OCOc4cc3CCN3CCC[C@]23CC1=O TN3823
CC1(C)Oc2c(O)c3oc(=O)ccc3cc2C=C1 TN3824
Oc1cc(C=O)cc2c1[nH]c1ccccc21 TN3825
C\C=C(\C)C(=O)O[C@@H]1C\C(=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12)C(O)=O TN3826
C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 TN3827
CC1(C)CCC[C@]2(C)[C@H]3[C@H](O)OC(=O)C3=CC[C@@H]12 TN3828
COC1=C[C@@]2(CC=C)[C@H](C)[C@H]([C@H](C2=O)C1=O)c1ccc2OCOc2c1 TN3829
CO[C@]12OC(=O)[C@H]([C@@H]([C@H]1C)c1ccc3OCOc3c1)C(=O)C(CC=C)=C2 TN3830
COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C TN3831
CC(C)=C[C@H]1C[C@H](CO1)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C TN3832
CC(C)=CCc1c(O)cc2occ(-c3ccc(O)c(CC(O)C(C)=C)c3)c(=O)c2c1O TN3833
CC1(C)Oc2cc(O)c3c(occ(-c4ccc(O)cc4)c3=O)c2C=C1 TN3834
C[C@@H](Cl)[C@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O TN3835
C[C@H]1C2[C@H](OC1=O)[C@H]1C(C)=CC(=O)C1=C(C)C[C@@H]2O TN3836
CNC(=O)[C@H]1[C@@H](O)[C@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC TN3838
C[C@@H]1CCC=C2C(=O)C=C[C@@H](O)[C@@]12C TN3839
COc1cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c(OC)c1OC TN3840
COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3841
COc1cc(CC[C@@H](O)C[C@@H](O)CCc2ccc(O)cc2)cc(OC)c1O TN3842
CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)C2[C@@H]1C[C@H](OC(C)=O)[C@]21CO1 TN3844
CCCCCCCCc1ccc(CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC)cc1 TN3845
CC1(C)CCc2c(O1)cc1occ(-c3ccc(O)cc3)c(=O)c1c2O TN3847
Oc1cc2OC(CC(=O)c2c(O)c1O)c1ccccc1 TN3848
CO[C@H]1[C@H](C[C@]23CCN(C)[C@@]22C[C@H](OC12OC)c1ccc(OC)c(OC)c31)OC(C)=O TN3850
C[C@@H]1COC2=C1C(=O)C(=O)c1ccc3c(C)cccc3c21 TN3851
CC(C)=CCc1c(O)ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c1O TN3852
COc1cc2oc(=O)ccc2cc1[C@H]1O[C@@H](O)[C@@]2(C)O[C@H]12 TN3853
C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C TN3854
CC1(C)CCc2c(O1)cc(O)c1C(=O)C[C@H](Oc21)c1ccccc1 TN3855
COc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccccc1 TN3856
CO[C@H]1[C@@H](O)C[C@]23CC(=O)N(C)[C@@]22C[C@H](OC12OC)c1ccc(OC)c(OC)c31 TN3857
COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1OC TN3858
COc1c(O)c(OC)c(C(=O)CCc2ccccc2)c(O)c1OC TN3859
C[C@H]1[C@H](CO)[C@@H]2C[C@@H]3N1[C@@H](Cc1c3[nH]c3ccccc13)[C@@H]2CO TN3860
Oc1cc(CCc2ccccc2)cc(O)c1 TN3861
CC(C)[C@H]1CC[C@]2(C)[C@@H](CO)C1[C@@H](CO)C2=C TN3862
C[C@@H]1CCc2c(C)cc3occ(C)c3c2C1 TN3863
OC[C@@H]1[C@H](Cc2ccc3OCOc3c2)CO[C@H]1c1ccc2OCOc2c1 TN3865
COc1ccc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O TN3867
C[C@@H](CO)C1=C([C@H]2[C@@H](C)C[C@H](O)[C@]3(C)[C@@H](C)CC[C@@H](O)[C@]23CC1)c1c[nH]c2ccccc12 TN3868
COc1cc(\C=C\COC(C)=O)cc2[C@H](COC(C)=O)[C@H](Oc12)c1ccc(O)c(OC)c1 TN3869
C[C@@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O TN3870
C[C@@]12C[C@@H](O[C@]11C[C@H](OC1=O)C1[C@@H](C[C@H](O)C[C@@H]21)C(O)=O)c1ccoc1 TN3871
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@@H]1[C@@H]3C[C@@H](C[C@@H]21)OC3=O)c1ccoc1 TN3872
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@]1(O)[C@@H](C[C@H](O)C[C@@H]21)C(O)=O)c1ccoc1 TN3873
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@@H]1[C@@H](C[C@H](O)C[C@@H]21)C(O)=O)c1ccoc1 TN3874
CC(C)=CCC[C@](C)(O)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]21C TN3875
CC(CCC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)=CCOc1ccc2ccc(=O)oc2c1 TN3876
O.NC(CC(N)=O)C(O)=O TN3877
CC(O)Cc1cc(=O)c2c(C)cc(O)cc2o1 TN3878
CCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 TN3879
C[C@@H]1CCC2=C(\C=C/C=C/[C@@]1(C)CCc1ccoc1)C(=O)OC2 TN3881
COc1c(oc2cc(O)cc(O)c2c1=O)-c1cc(CCC(C)CO)c(O)c(CC=C(C)C)c1 TN3883
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(CCC(C)CO)c1 TN3884
COc1cc(cc(CC=C(C)C)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1OC TN3885
COC1OC(=O)C=C1CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O TN3886
CC1(C)CCc2c(O)c(ccc2O1)C(=O)\C=C\c1ccc(O)cc1 TN3888
COc1cc(ccc1O)C1=NC(C)(C)N=C1C TN3889
CC(C)[C@H]1CC[C@]2(C)[C@@H](CO)[C@H]1C=C2CO TN3890
CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]3COC(=O)[C@@H]3[C@@H]1C2=C TN3891
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)C2[C@H](CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C TN3894
CC1(C)CCC[C@]2(C)[C@H]3COC(C)(C)OCC3=CC[C@@H]12 TN3895
CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO TN3896
COc1c(O)cc2oc3cc(O)cc(C)c3c(=O)c2c1O TN3897
COc1c(O)cc2oc3c(OC)c(O)cc(C)c3c(=O)c2c1O TN3898
CO[C@]12C[C@]34CCCN3C[C@H](O1)c1cc3OCOc3cc1[C@@H]4[C@@H]2O TN3899
COc1c(O)cc2c3c1oc(=O)c1cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(O)c(oc2=O)c31 TN3900
C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O TN3901
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@]1(C)CC[C@H]2C1=CC(=O)NC1=O TN3904
CCCCCCCC(=O)\C=C\c1ccc(O)cc1 TN3905
COc1cc(OC(C)=O)cc(\C=C\c2ccccc2)c1 TN3906
COc1cc(O)cc(\C=C\c2ccccc2)c1 TN3907
COc1cc(O)c(C)c(O)c1C(C)=O TN3909
C[C@H]([C@H](O)CCC(C)(C)O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C TN3910
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 TN3913
CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12 TN3914
CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12 TN3915
C[C@@H]1NC(=O)[C@H](Cc2c([nH]c3c(CC=C(C)C)cc(CC=C(C)C)cc23)C(C)(C)C=C)NC1=O TN3916
COC(=O)[C@]1(CO)[C@H]2C[C@H](O)[C@@]34Nc5ccccc5[C@]13CC[N+]4(C)C\C2=C\C TN3917
COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3CCCC(C1)([C@@H](C)OC(=O)C=C(C)C)[C@@H]23 TN3918
CC(=O)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@]3(O)OC[C@@]12[C@@H]1CC[C@@H]2C[C@]31C(=O)C2=C TN3921
CC1(C)CC[C@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](C[C@@H](O)[C@@H]31)C(=C)C2=O TN3922
OC[C@H]1O[C@@H](Oc2cc(O)ccc2CC#N)[C@H](O)[C@@H](O)[C@@H]1O TN3923
CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C(CC[C@@]23C)[C@]2(C)CCC(=O)O2)[C@@]1(C)CCC(O)=O TN3924
CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C(CC[C@@]23C)[C@]2(C)CC[C@H](O2)C(C)(C)O)[C@@]1(C)CCC(O)=O TN3925
CCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 TN3926
C\C(C=C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C TN3927
COc1c(Cc2ccccc2)[nH]c(=O)c(Cc2ccccc2)[n+]1[O-] TN3928
CC(C)=C1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1 TN3929
COc1cc2OC(C)(C)C=Cc2cc1C(C)=O TN3930
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O)C(O)=O TN3931
CC1=C2C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@H]2OC1=O TN3932
CC1(C)[C@H]2CC[C@@]34CC(=C)[C@@H](CC3=O)[C@@H](O)C4[C@]2(C)CCC1=O TN3933
CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O TN3934
C[C@]12CCC3=C(CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]34C)[C@H]1OC[C@@H]2O TN3935
C[C@]1(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)[C@@H](O)C4=C TN3936
CC1(C)[C@H]2CC[C@]34CC[C@H](C[C@H]3[C@]2(C)CCC1=O)[C@](O)(CO)C4 TN3937
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3)C(O)=O TN3938
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)[C@@](O)(CO)C3)C(O)=O TN3939
CC1(C)OC[C@]2(C[C@]34C[C@H]2CC[C@H]3[C@]2(C)CCCC(C)(C)[C@H]2CC4)O1 TN3940
C[C@]12CCC[C@@](C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O TN3941
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)C(CO)=C3)C(O)=O TN3942
CC1(C)[C@H]2CC[C@@]34C[C@H](CO)[C@@H](C3)CC[C@H]4[C@]2(C)CCC1=O TN3943
C[C@@]12CC[C@@H](OC(=O)\C=C\c3ccccc3)[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O TN3944
CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CCC1=O)[C@H](C4)C(O)=O TN3945
CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CCC1=O)[C@@](O)(CO)C4 TN3946
C\C(CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]12C)=C/C(O)=O TN3947
C\C=C(\C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@@H]2[C@]1(C)C(O)=O TN3948
C[C@@]12CC[C@@H](O)[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O TN3949
C\C=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@@H]2[C@]1(C)C(O)=O TN3950
C[C@]1(CCC[C@]2(C)C1[C@H](O)C[C@@]13C[C@@H](CC[C@@]21O)C(=C)C3=O)C(O)=O TN3953
C[C@@]12CCC[C@]3(C)C1[C@@H](OC2=O)[C@H](O)[C@@]12C[C@@H](CC[C@@]31O)C(=C)C2=O TN3954
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]21O)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3955
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]21O)C(=C)C3=O)C(O)=O TN3956
CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@]13CC[C@H](C[C@@H]21)[C@](O)(CO)C3 TN3957
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(CO)CCC[C@@](C)(CO)[C@H]1CC3 TN3958
CC1(C)C(O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12 TN3959
C\C(CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]12C)=C/CO TN3960
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]2(C)[C@H](CC\C(CO)=C\CO)C(=C)CC[C@H]12 TN3961
CC1=C2C[C@@H](CC[C@]2(C)CCC1)C(C)(C)O TN3962
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 TN3963
COc1cc(cc(OC)c1OC)[C@@H]1OC[C@H]2[C@H]1CO[C@@H]2c1ccc2OCOc2c1 TN3964
COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 TN3965
C[C@H]1[C@H](CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C)OC(C)=O TN3968
C\C1=C/CC(C)(C)\C=C\C[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H]([C@@H]2CC1)c1ccccc1 TN3969
CC(C)=CCc1cc(cc(O)c1O)-c1cc(=O)c2c(O)cc(O)c(CC=C(C)C)c2o1 TN3972
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)C3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O TN3973
COc1cc(C[C@H]2COC(=O)[C@@]2(O)Cc2ccc(O)c(OC)c2)ccc1O TN3974
Cc1cc2[C@@H](O)[C@](C)(CO)C(=O)c2c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3975
Cc1cc2[C@@H](O)[C@](C)(CO)C(=O)c2c(C)c1CCO TN3976
COc1cc(cc2OCOc12)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1 TN3977
CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 TN3978
COc1cc(cc(OC)c1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1cc(OC)c(OC)c(OC)c1 TN3979
CC12CCC3C(OC(=O)C3(C)C)C(=C)CCC1O2 TN3980
CC(C)C(=C)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C TN3982
CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=CCC4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C TN3983
COc1cc(cc(OC)c1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN3985
COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(OC)c1 TN3986
Oc1cc(O)c(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1 TN3987
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]33CCN(CC=C1)[C@@H]23 TN3988
O[C@@H]1C[C@H]2CC[C@H](O)[C@@H]1N2 TN3989
CC(C)=CCc1c(O)c(CC(O)C(C)=C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O TN3990
CO[C@@H]1C[C@@]23N(CCc4cc(OC)c(OC)cc24)C(=O)C=C3C=C1 TN3991
CC(C)(O)c1cc2c(O)c3c(cc2o1)occ(-c1ccc(O)cc1)c3=O TN3992
CC1(CO)Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3c(O)c2C=C1 TN3993
CC1(C)Oc2c(ccc(O)c2C=C1)[C@@H]1COc2cc(O)ccc2C1 TN3994
CC(C)=CCc1cc2[C@H]3Oc4c(ccc(O)c4CC=C(C)C)[C@@H]3COc2cc1O TN3995
CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](O)c1cc(OC)c(OC)cc31 TN3996
CC(C)(O)C1Cc2c(O1)cc1occ(-c3ccc(O)cc3)c(=O)c1c2O TN3997
COC(C)(C)c1cc2c(O)c3c(cc2o1)occ(-c1ccc(O)cc1)c3=O TN3998
CC1(C)Oc2c(C[C@H]1O)c(O)cc1occ(-c3ccc(O)cc3)c(=O)c21 TN3999
CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](OC)c1cc(OC)c(OC)cc31 TN4000
COc1cc(ccc1O)[C@@H](O)[C@H](C)O TN4001
C[C@H](O)[C@H](O)c1ccccc1 TN4002
COc1cc(ccc1O)[C@H](O)[C@@H](CO)Oc1ccc(\C=C\CO)cc1OC TN4003
COc1cc(ccc1O)[C@@H](O)[C@H](CO)Oc1ccc(CCCO)cc1OC TN4004
COc1cc(ccc1O)[C@H](O)[C@@H](CO)Oc1c(OC)cc(\C=C\CO)cc1OC TN4007
COc1cc(ccc1O)[C@@H](O)[C@@H](O)CO TN4008
OC(=O)c1cccc2C(=O)OCCc12 TN4009
O=Cc1cccc2C(=O)OCCc12 TN4010
CC1(C)CCCC2C3(C)CCC(C)(CC3CCC12O)C(O)CO TN4012
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O TN4013
CCOC(=O)CC1(O)C=CC(=O)C=C1 TN4015
CCOC(=O)c1c(O)cc(O)cc1O TN4016
CCOC(=O)c1cc(OC)c(OC)c(OC)c1 TN4017
CCOC(=O)CCc1ccc(OC)cc1 TN4019
CCOC(=O)c1ccccc1 TN4020
CCOC(=O)C(O)Cc1ccc(O)cc1 TN4021
CCO\C(\C=C\c1ccccc1)=C1\C(=O)C=C(OC)C1=O TN4022
COc1ccc(cc1)-c1cc(=O)c2c(O)c(C)c(OC)c(C)c2o1 TN4023
CC(C)[C@H]1CCC(C=O)=C[C@@H]1O TN4026
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C TN4027
CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(O)cc1O TN4028
COc1ccc(C[C@]2(O)COc3cc(O)cc(O)c3C2=O)cc1 TN4029
CC(C)(O)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1 TN4030
CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@H]2C1 TN4031
COc1cc(CC=C)ccc1OC(=O)c1ccccc1 TN4032
COc1cc(CC=C)ccc1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O TN4033
C\C=C(\CO)C(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN4034
CC(=O)OC\C1=C/C[C@@H](OC(C)=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO TN4035
CC(=O)c1cc2cc(C(C)=O)c(O)cc2o1 TN4036
COc1cc2cc(oc2cc1OC)C(C)=O TN4037
C=C1[C@]2([C@](OC1=O)(/C=C(\C)/CC/C=C(\C)/C[C@H]2O)[H])[H] TN4038
COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 TN4039
CC(=O)c1cc2C=CC(C)(C)Oc2cc1O TN4040
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C\C(C)=C\CC1)OC(=O)C(\CO)=C\CO TN4041
C[C@]1(O)CC[C@]2(O)C1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C=O TN4042
CC(C)=CCc1c(O)ccc(c1O)-c1coc2cc(O)ccc2c1=O TN4043
CC(C)(O)C(O)C(O)c1cc2ccc(O)cc2oc1=O TN4044
CC(C)=CCOc1ccc(\C=C\CO)cc1 TN4045
CC1(C)CC[C@H](O)[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4[C@@H](O)[C@@]3([C@H](O)C[C@H]12)C(=O)C4=C TN4046
CC(=O)O[C@H]1C[C@@H]2[C@]3([C@H](O)[C@@H]1C(=C)C3=O)[C@H](O)C[C@@H]1C(C)(C)CC[C@H](O)[C@@]21C TN4047
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]11Cc2c(O1)c(C=O)c(C)cc2O TN4049
COC1=CC(=O)[C@@H](CC=C)[C@H]2O[C@H]([C@H](C)[C@]12OC)c1ccc2OCOc2c1 TN4050
COC1=CC(=O)[C@H](CC=C)[C@@H]2O[C@@H]([C@@H](C)[C@@]12OC)c1ccc2OCOc2c1 TN4051
Cc1c(O)c2C(=O)C[C@H](Oc2c(C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 TN4052
CCc1ccc(o1)C1=C(C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)c1ccccc1 TN4053
COC1=C2[C@H]3NCC[C@]2(C[C@H](OC(C)=O)[C@H]1OC(C)=O)c1c(O)c(OC)ccc1[C@@H]3O TN4054
CC(C)[C@H]1CC(=O)[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C TN4055
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@@]4(C)[C@@H](CCC=C4C)[C@@]3(CC[C@@]21C)C=O TN4057
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@@]4(C)[C@@H](CCC=C4C)[C@]3(CO)CC[C@@]21C TN4058
C[C@]1(CC[C@]2(C)[C@@H](C1)CCC(C)(C)[C@H]1OC(=O)C=C21)C=C TN4059
[Cl-].Oc1ccc2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1 TN4060
Oc1cc2CCc3cc(O)cc4OCc(c1)c2-c34 TN4062
COc1cc2CCc3cc(O)cc4OCc(c1)c2-c34 TN4063
CCCCCCCc1c(O)cc(CC=C(C)C)c(O)c1C=O TN4064
CC(O)C1(O)C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O TN4066
C[C@@]1(O)C[C@H](O)[C@H]2[C@H]1C[C@H]1[C@@H](CC2=C)OC(=O)C1=C TN4067
C[C@@H]1O[C@@]11C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O TN4068
C\C(CC\C=C(/C)C(O)=O)=C/CO TN4069
CO[C@H]1OC[C@H]2[C@H]1Cc1cc(OC)c(O)cc1[C@@H]2c1ccc(O)c(OC)c1 TN4070
CC(C)=CCc1c(O)cc(O)c2c1oc1c(O)c3OC(C)(C)C=Cc3cc1c2=O TN4071
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@@H]2[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C TN4073
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C TN4074
O[C@H]1[C@H](O)[C@@H](COC(=O)Cc2ccc(O)cc2)O[C@@H](OCCC2(O)C=CC(=O)C=C2)[C@@H]1O TN4075
CO[C@H]1C[C@@]23N(CC=C2C=C1)CCCc1cc(OC)c(OC)cc31 TN4076
COc1cc(ccc1O)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1ccc(O)c(OC)c1 TN4078
Cc1cc(O)c2C(=O)c3c(O)cc(O[C@@H]4OC[C@](O)(CO)[C@H]4O)cc3C(=O)c2c1 TN4079
C[C@H]1OC(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C TN4082
CC1(C)CCC[C@@]2(C)[C@H]1C[C@H](O)C1=C2[C@H](O)OC1=O TN4083
COc1ccc2c3[C@H](O)[C@]4(O)N([C@@H](C=C(C)C)c3n(CC=C(C)C)c2c1)C(=O)[C@@H]1CCCN1C4=O TN4084
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O TN4085
Oc1ccc(cc1)C1CC(=O)c2cc3ccoc3cc2O1 TN4086
CC(C)=CCc1c2OC(Cc2c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O)C(C)(C)O TN4087
COC1=C[C@]23C[C@H](C[C@@H]([C@H]2C)c2ccc4OCOc4c2)OC3=CC1=O TN4088
COc1ccc(cc1OC)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1ccc2OCOc2c1 TN4089
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CCOC3=O)[C@]3(CO3)CC[C@@H]12 TN4092
CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 TN4093
Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 TN4094
CC[C@@H]1[C@@H](C)[C@@H](c2c1c(OC)cc(OC)c2OC)c1cc(OC)c(OC)cc1OC TN4095
COCC=Cc1ccc(O)c(OC)c1 TN4096
COc1cc2oc(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O TN4098
COc1ccc(cc1)-c1coc2c(CC=C(C)C)c(O)cc(O)c2c1=O TN4099
COc1ccc(c(O)c1)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O TN4100
C[C@H](CC\C=C(\C)C(O)=O)C1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C TN4104
O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(O)cc1 TN4110
COc1c2OC(C)(C)CCc2cc2c1oc1c(O)ccc(O)c1c2=O TN4111
CC(C)=CCC\C(C)=C\Cc1c(O)c(O)c2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)C TN4112
CC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O TN4113
COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1 TN4114
COC(=O)C1=CN[C@@H]2OC[C@]3(O)C=C[C@H]1[C@H]23 TN4115
COC(=O)C1=CO[C@@H]2OC[C@]3(O)C=C[C@H]1C23 TN4116
CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]34O[C@@H]3C3=C(C)C(=O)O[C@@]33O[C@H]3C24)C1(C)C TN4120
C[C@H]1C[C@@H]2OC(=O)[C@@H](CO)C2[C@@H]1CO TN4123
COC(=O)[C@@]1(CO)[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1\C(CN2C)=C/C TN4124
O[C@H]1[C@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O TN4125
CC[C@H](C)CCCCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O TN4126
CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O TN4127
COc1cc(ccc1O)-c1oc2cc(O)ccc2c(=O)c1O TN4128
COc1cc(\C=C\C(=O)OC\C=C(/C)CCC=C(C)C)ccc1O TN4129
CC(C)=C1C[C@@H]2O[C@@]2(C)CC\C=C(C)\CC1=O TN4130
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C TN4131
CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1 TN4132
CC(C)=CCc1c(O)cc(O)c2C(=O)[C@H](O)[C@H](Oc12)c1ccccc1 TN4136
COc1c(CC=C(C)C)c(O)cc(O)c1-c1coc2cc(O)ccc2c1=O TN4137
[H][C@@]12C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])[C@@]1(COC(=O)\C=C\c3ccccc3)O[C@H]1[C@H]2O TN4138
C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccc(O)cc1)O[C@@H]1C[C@H](C[C@H](O)[C@]1(O)C2=O)C(O)=O TN4139
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 TN4140
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 TN4141
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 TN4142
CS(=O)(=O)CCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS(O)(=O)=O TN4143
COc1cccc(C\C(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=N\OS(O)(=O)=O)c1 TN4144
CC(=O)O[C@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C TN4146
CC(C)=CCc1cc(ccc1O)-c1oc2cc(O)c(CC=C(C)C)c(O)c2c(=O)c1O TN4147
COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)cc1O TN4148
CC1(C)Oc2c(ccc(O)c2C=C1)[C@@H]1COc2cc(O)cc(O)c2C1=O TN4149
CC1(C)Oc2ccc(cc2CC1O)-c1oc2cc(O)cc(O)c2c(=O)c1O TN4150
COc1c(CC=C(C)C)c(O)cc2OCc3c(oc4cc(O)ccc34)-c12 TN4151
COc1cc2C[C@@H](C)[C@@H](C)Cc3cc(O)c(OC)c(OC)c3-c2c(OC)c1OC TN4153
COc1cc2C[C@H](C)[C@H](C)Cc3cc4OCOc4c(OC)c3-c2c(O)c1OC TN4154
COc1c2OCOc2cc2C[C@@H](C)[C@@H](C)Cc3cc(O)c(OC)c(OC)c3-c12 TN4155
COc1cc2[C@H](O)[C@@H](C)[C@@H](C)Cc3cc(O)c(OC)c(OC)c3-c2c(OC)c1OC TN4156
CC(=O)O[C@H]([C@H](O)c1ccccc1)[C@H]1CC=CC(=O)O1 TN4157
CC(=O)O[C@@H]([C@@H](O)[C@H]1CC=CC(=O)O1)c1ccccc1 TN4158
O[C@H]([C@H](O)c1ccccc1)[C@H]1CC=CC(=O)O1 TN4159
O=C1O[C@H](CC=C1)\C=C\c1ccccc1 TN4160
C\C(CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]12C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4161
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)[C@@H]3O)C(O)=O TN4163
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O TN4165
CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1c(O)cc(C)c(C(O)=O)c1O TN4167
CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1c(O)cc(C)cc1O TN4168
COc1cc(C)cc(O)c1C\C=C(/C)CC\C=C(/C)CCC=C(C)C TN4169
COC(=O)[C@H]1CC(=O)[C@H]2C1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC TN4170
C\C1=C/CC(C)(C)\C=C\C[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H]([C@@H]2CC1)c1ccccc1 TN4172
CC(C)[C@H]1CC[C@H](C)[C@@H]2CC[C@@]3(C[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O3)C=C12 TN4173
CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H]([C@H]1CCC2=C)c1ccccc1 TN4174
Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)Oc2cc(C)c(C(O)=O)c(O)c2)c(O)c1 TN4178
COc1c(O)ccc(C2=Cc3ccc(O)cc3OC2)c1OC TN4179
COc1ccc2ccc(=O)oc2c1C(OC(C)=O)C(=O)C(C)C TN4180
COC1=CC(=O)C(CC=C)=CC1(OC)C(\C)=C\c1cc(OC)c(OC)c(OC)c1 TN4181
C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCc1ccoc1 TN4183
Cl.Cc1nccc2c3ccc(O)cc3[nH]c12 TN4184
CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCc1ccoc1 TN4185
CC1(C)CC[C@H](O)C23[C@H](O)O[C@@](O)([C@@H](O)[C@H]12)[C@@]12[C@H](O)[C@@H](CC[C@@H]31)C(=C)C2=O TN4186
CC[C@]12CN(C[C@H]3O[C@@H]13)CCc1c(CC2)n(C)c2ccccc12 TN4187
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O TN4188
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1\C=C\c1ccoc1 TN4189
COC1OC(=O)C(\C=C\[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)=C1 TN4190
C\C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@H](O)c2c(C)coc2C(=O)C1=C TN4194
C[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO TN4200
CC(C)(O)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12 TN4202
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 TN4204
CC1(C)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 TN4205
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2O1 TN4206
COc1cc2C[C@@H](C)[C@@H](C)[C@@H](OC(=O)C(\C)=C/C)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN4207
COc1cc2C[C@@H](C)[C@@H](C)[C@@H](OC(=O)C(\C)=C\C)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN4208
COc1cc(ccc1O)[C@H]1Oc2c(cc(\C=C\CO)cc2O)[C@@H]1CO TN4210
O[C@@H](CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1 TN4212
Oc1ccc(CC\C=C\C(=O)CCc2ccc(O)c(O)c2)cc1O TN4213
CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O TN4214
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 TN4216
CC(C)=C[C@H]1CC[C@]2(C)C1[C@@](C)(O)CC[C@H]2O TN4217
CC(C)CC(=O)OCc1cocc2c(C=O)ccc12 TN4219
COc1cc(\C=C\C(=O)c2ccc(O)cc2O)ccc1O TN4220
COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 TN4222
COc1ccc2[C@H]3COc4cc(OC)ccc4[C@@H]3Oc2c1 TN4223
CC(C)=CCc1cc(cc(CC=C(C)C)c1O)-c1cc(=O)c2c(O)cc(O)cc2o1 TN4224
CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@]2(C)CC1 TN4225
COc1cc2oc(=O)ccc2cc1C(=O)C1OC1(C)C TN4226
CC(C)C1=C(O)C(=O)C2=C([C@H](O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O TN4227
CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=C(O)C1=O TN4228
C\C1=C/CC(C)(C)\C=C\C[C@]2(C)O[C@@H]2CC1 TN4229
COc1cc2oc(=O)ccc2cc1[C@H]1OC(=O)[C@@](C)(O)[C@H]1O TN4233
Oc1ccc(cc1)C1Cc2cccc(O)c2C(=O)O1 TN4234
COc1c(O)ccc2ccc(=O)oc12 TN4236
Br.COc1c2OCOc2cc2CCN(C)Cc12 TN4237
OC1=Cc2cccc3ccc(-c4ccc(O)cc4)c(C1=O)c23 TN4238
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1C(O)CCC2(C)C TN4239
CC1(C)Oc2cc3OC4C(O)(COC5=CC(=O)C=CC45O)c3cc2C=C1 TN4240
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)C=C5CO)[C@@H]2[C@]1(C)O)C(O)=O TN4241
CC(C)C(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN4243
CC(=O)C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O TN4244
OCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 TN4245
CC1Oc2c(c(=O)c3ccccc3n2C)C1(C)C TN4246
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN4248
C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)CO TN4249
C[C@H](CCO)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O TN4250
CC(C)[C@@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12 TN4251
CC(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C TN4254
C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H](O)C(=C)C=C1 TN4256
CC1(C)CCC[C@@]1(C)c1ccc(C=O)cc1 TN4258
CC[C@H]1C2CC3[C@@H]4N(C)c5ccccc5[C@]44C[C@@H](C2C4O)N3[C@H]1O TN4260
COc1cc(O)c2C(=O)O[C@@]3(C)C[C@@H](O)[C@H](O)C=C3c2c1 TN4261
O[C@H]1[C@@H](O[C@H]2C=CC(=O)O[C@@H]12)c1ccccc1 TN4262
CC(C)=CCc1cc(cc(O)c1O)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O TN4263
CCC[C@H](CC(O)=O)c1c2OC(C)(C)C=Cc2c(O)c2C(=O)[C@@H](C)[C@H](C)Oc12 TN4264
COc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cccc(O)c2)c1 TN4265
COc1ccc(\C=C2\COc3cc(O)ccc3C2=O)cc1 TN4266
C[C@H]1[C@@H](O)C[C@@H]2CC(=O)OC[C@H]12 TN4267
CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCC(=C)C[C@@]12O TN4268
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4([C@@H]3C[C@H]12)C(=O)Nc1cc(OC)c(OC)cc41 TN4269
CC(C)=CCc1c(O)cc2occ(-c3ccc4OC(C)(C)C=Cc4c3)c(=O)c2c1O TN4272
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/[C@@H](O)COC3=O)C(=C)CC[C@@H]12 TN4273
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O TN4274
CC(C)(C=C)c1c(O)cc(O)c2c1oc1c(O)c(O)ccc1c2=O TN4275
COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(C)(C)C=C TN4276
C\C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O)=C/CO TN4277
COc1c(O)cc2oc(=O)c(Oc3ccc4ccc(=O)oc4c3)cc2c1OC TN4278
CC1(C)Oc2ccc(cc2C=C1)-c1coc2cc(O)cc(O)c2c1=O TN4279
Cn1c2occc2c(=O)c2ccccc12 TN4280
COC1=CC(=O)C(CC=C)=C[C@]1(OC)[C@H](C)Cc1ccc2OCOc2c1 TN4281
COC1=CC(=O)C(CC=C)=C[C@@]1(OC)[C@H](C)Cc1ccc2OCOc2c1 TN4282
Cc1cc(O)c2C(=O)C=CC(=O)c2c1-c1c(C)cc2C(=O)C=CC(=O)c2c1O TN4283
CC(=O)OC1CCC(C)(C)[C@@H](C=O)[C@@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O TN4284
CC1(C)CCc2c(O)ccc(C(=O)C=Cc3ccc(O)cc3)c2O1 TN4285
Oc1ccc(CC=C)cc1-c1cc(CC=C)cc(Oc2ccc(CC=C)cc2)c1O TN4286
COc1cc(\C=C\C)cc(OC)c1OC TN4287
CC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O TN4289
COc1cc2CCc3cc(O)cc4COc(c1)c2-c34 TN4290
COC1=CC(=O)[C@@]2(CC=C)C3[C@](C)([C@H]2c2ccc4OCOc4c2)[C@@]13OC TN4292
CC(C)=CCc1c(O)c(O)c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C TN4293
COc1cc2C[C@H](C)[C@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC TN4294
CC(=C)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12 TN4295
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1 TN4296
Cc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4297
CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O TN4298
CC(C)=CCC\C(C)=C\C[C@@H](O)C(\C)=C\CC[C@@]1(C)[C@H](CCCO)\C(CC[C@]1(C)O)=C(\C)C=O TN4299
CC1(C)Oc2cc(O)c3c(oc4c(O)c(O)ccc4c3=O)c2C=C1 TN4300
COC1=CC2(CC=C)C(C)C(C(C2=O)C1=O)c1ccc(OC)c(OC)c1 TN4302
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1 TN4303
CC1=C(O)C(=O)C2=C(CCCC2(C)C)[C@]1(C)CCc1ccoc1 TN4306
CC(C)=CCc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)cc(O)c2c1=O TN4308
C[C@H](CC\C=C(/C)C(O)=O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@@H](O)C4(C)C TN4309
COc1ccc2[C@H]3Oc4cc(O)ccc4[C@@H]3COc2c1 TN4310
COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@]4([C@@H]3C[C@H]12)C(=O)Nc1ccccc41 TN4311
COc1ccc2ccc(=O)oc2c1C(COC(C)=O)C(C)=C TN4313
CC(C)[C@]12CC[C@](C)(OO1)C1=C([C@H](C)CC1=O)[C@@H]2O TN4314
C[C@@H]1CCC=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@@]12C TN4315
CC1(C)CCc2c(O1)c(O)cc1oc3cc(O)c4CCC(C)(C)Oc4c3c(=O)c21 TN4316
COc1c(O)c(OC)c2C(=O)C[C@H](Oc2c1OC)c1ccccc1 TN4317
C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C TN4319
CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(=C)CC1=O TN4320
COc1ccc2n(C)c3occc3c(=O)c2c1 TN4321
CC1CCC(C(O)C1)C(C)=C TN4322
COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 TN4323
COc1cc(C[C@H]2COC(=O)\C2=C\c2ccc(O)c(OC)c2)ccc1O TN4326
COc1ccc([C@@H]2COc3cc(OC)ccc3C2)c(O)c1 TN4327
CC(C)[C@@H]1CC[C@@]2(C)C3[C@@H](O)[C@@H]([C@H](O)C13)C2=C TN4328
CC(C)(Cl)C(O)COc1c2occc2cc2ccc(=O)oc12 TN4329
C[C@@H]1CC(=O)c2c(O)cccc2[C@@H]1O TN4330
COc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4331
Cc1coc-2c1C(=O)C(=O)c1ccc3c(C)cccc3c-21 TN4332
COc1cc2C[C@H]3COC(C)(C)OC[C@@H]3[C@@H](c3ccc(O)c(O)c3)c2cc1O TN4333
COc1cc2C[C@@H](CO)[C@H](CO)[C@@H](c3ccc(O)c(O)c3)c2cc1O TN4334
COc1c(O)c2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 TN4336
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)OC(=O)c1ccc(O)cc1 TN4337
C[C@@H]1C2[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@@]3(O)C(C)(C)CCC[C@]3(C)[C@H]2Cc2occc12 TN4338
CC(C)[C@@]1(O)[C@H](O)C2[C@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@H](C)C42)[C@@]13C TN4339
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C TN4340
COc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O TN4342
COc1cc(ccc1O)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC TN4343
COc1cc(ccc1OC(C)=O)-c1oc2cc(OC(C)=O)c(OC)c(OC(C)=O)c2c(=O)c1OC TN4344
C[C@@H]1O[C@@]11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TN4345
C[C@@H](Cl)[C@@]1(O)C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TN4346
CC1(C)O[C@@H]2OC(=O)C=C[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1 TN4348
C[C@H]1CCCc2c(O)cc(C(=C)CO)c(C)c12 TN4350
C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)C([C@@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(CO)\C2=O)C3(C)C)[C@H]1O TN4355
CC1=C2[C@H]3O[C@]33CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C=C2OC1=O TN4356
CC1=C2C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C[C@H]2OC1=O TN4357
COc1cc(ccc1O)C(CO)CO TN4358
OCC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc2OCOc2c1 TN4359
OCC(CO)c1ccc2OCOc2c1 TN4360
COc1cc(ccc1O)[C@H]1OC[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@@H]1CO TN4361
COc1cc2[C@H]3O[C@H]([C@H](C)[C@@H]3C)c3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC TN4363
CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)\C(CC[C@@]23C)=C(\C)CC\C=C(\C)C(O)=O)[C@@]1(C)CCC(O)=O TN4364
COC1=C[C@]2(CC=C)[C@H](C)[C@H]([C@@H](C2=O)C1=O)c1ccc(OC)c(OC)c1 TN4365
COC(=O)CC[C@@]1(C)[C@@H](CC[C@@H]2C1=CC[C@]1(C)C(CC[C@@]21C)[C@H](C)CC\C=C(\C)C(O)=O)C(C)=C TN4366
CO[C@@]12CC(=O)C(CC=C)=C[C@]1(OC)[C@H](C)[C@H](O2)c1ccc2OCOc2c1 TN4367
COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1O TN4371
CC(=O)Oc1ccc(cc1)-c1oc2cc(OC(C)=O)cc(OC(C)=O)c2c(=O)c1OC(C)=O TN4373
COc1ccc(\C=C2/[C@@H](Cc3ccc4OCOc4c3)COC2=O)cc1OC TN4374
C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@@]12C TN4376
C[C@@H]1C[C@@H](O)C=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@@]12C TN4377
C[C@@H]1CC=CC2=CC(=O)[C@H]3[C@@H](C3(C)C)[C@@]12C TN4378
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C TN4380
C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 TN4381
CC(C)=CCc1cc([C@@H]2CCc3ccc(O)cc3O2)c(CC=C(C)C)c(O)c1O TN4382
CC(C)=CCc1c(O)c(O)ccc1[C@@H]1CCc2ccc(O)cc2O1 TN4383
COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC TN4384
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)[C@@](C)(O)[C@@H]3CC[C@@]12C TN4385
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O TN4387
COc1cc(ccc1O)[C@H]1Oc2c(OC)cc3c(oc4ccccc4c3=O)c2O[C@@H]1CO TN4388
C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2C1=CC(=O)OC1O TN4389
C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2C1=CC(O)OC1=O TN4390
COc1ccc2ccc(=O)oc2c1C(=O)C(OC(=O)C=C(C)C)=C(C)C TN4391
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O TN4392
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC TN4393
C[C@@]12CC[C@@H]3[C@@H](CC3(C)C)C(=O)CC[C@H]1O2 TN4395
C[N+]1([O-])C[C@]2(C=C)[C@@H]3C[C@H]4OC[C@@H]3[C@@H]1C[C@]21C4=Nc2ccccc12 TN4396
COc1cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c(O)c1C(=O)\C=C\c1ccc(O)cc1O TN4397
CC(C)=CC[C@H](Cc1c(O)c(CC=C(C)C)c(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1O)C(C)=C TN4398
CC(C)=CC[C@H](Cc1c(O)cc(O)c2c1oc(c(O)c2=O)-c1ccc(O)cc1O)C(C)=C TN4399
CC(C)=CCCC1(C)Oc2cc3OC(CC(=O)c3c(O)c2C=C1)c1ccc(O)cc1O TN4401
C\C(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)=C/CO TN4402
CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)Cc1ccc(O)cc1)C(CO)=CC2=O TN4403
COc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(OC)cc2o1 TN4404
[H][C@]12[C@H](O)[C@H](O)[C@](C)(O)[C@@]1([H])[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC TN4405
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2[C@@](C)(O)[C@@H](O)C[C@@]12O TN4406
COC1=CC(=O)C(CC=C)=C[C@@]1(OC)[C@H](C)Cc1ccc(OC)c(OC)c1 TN4408
C\C(CC[C@H](O)C(C)=C)=C/COc1c2occc2cc2ccc(=O)oc12 TN4409
COc1cc(C[C@H]2CO[C@@H]([C@H]2COC(C)=O)c2ccc(O)c(OC)c2)ccc1O TN4412
COc1ccc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(OC)c(OC)c2)cc1OC TN4413
COc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4414
COc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O TN4415
O[C@](C)(C=C)CC[C@H]1C(C[C@H](OC(C)=O)[C@@]2([H])C(C)(C)CCC[C@]12C)=C TN4417
COc1cc(O)cc2CCCCCCC[C@H](C)OC(=O)c12 TN4418
COc1cc(OC)c(cc1O)[C@H](C=C)c1ccccc1O TN4420
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)c4OC(C)(C)C=Cc4cc3c(=O)c2c1O TN4421
COc1ccc2C(=O)c3nccc4cc5OCOc5c(-c2c1)c34 TN4422
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2C1=CC(=O)NC1=O TN4423
Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 TN4424
O=C1CC=C[C@@H]2[C@@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 TN4425
CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)C2=C(O)C1=O TN4426
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1 TN4428
C[C@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(C)=CC3=O TN4429
CC[C@@H]1CCCC2=C1NC(=O)CCC1=CC=CN3C(=O)[C@@H](O)C2=C13 TN4430
CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)C=CC1=O)C(=C)C4=O TN4432
COc1cc(O)c(c2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)C=C TN4433
CC1(C)Oc2ccc(C3COc4cc(O)cc(O)c4C3=O)c(O)c2C=C1 TN4434
COc1c2CCC(C)(CO)Oc2cc2oc(=O)c(cc12)-c1ccc(O)cc1O TN4435
COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)c(CC=C(C)C)c1O TN4437
CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)CC(=O)C(C)=C2C1 TN4438
COc1cc(ccc1O)-c1oc2c(OC)c(O)cc(O)c2c(=O)c1O TN4439
CC1=COC2=C1[C@@H]([C@H]3C(=C)[C@H]4C[C@H]4[C@@]3(C2)C)OC(=O)C TN4442
CC(=O)O[C@@H]1C\C(C)=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12 TN4443
COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1OC TN4444
CC=CC#CC#CC(O)C(O)C=CCCCO TN4445
CC(=C)[C@@H]1CC[C@]2(C)CC=C(C)C(=O)C[C@@H]12 TN4446
COC(=O)C1=C2CCC3=C2[C@]2(C1)C(=O)[C@H]1C[C@@H]4N(C[C@H](CC3)[C@]24C)C[C@@H]1C TN4450
Oc1ccc(C[C@@]2(O)COc3cc(O)cc(O)c3C2=O)cc1 TN4454
C[C@H](CC\C=C(/C)C=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O TN4455
C[C@H](CC\C=C(/C)CO)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O TN4456
C[C@H](CC\C=C(/C)C=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O TN4457
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O TN4458
C[C@@H]1C[C@H]2[C@H](O)[C@@H](O)[C@H]3CCCN4CCC=C2[C@]34C1 TN4459
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 TN4460
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12 TN4463
COc1c2OC(C)(C)C=Cc2cc2ccc(=O)oc12 TN4465
CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(O)=O)CC3=CC[C@@H]12 TN4466
CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12 TN4467
COc1cc(cc(OC)c1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12 TN4469
COc1cc2ccnc3C(=O)c4ccccc4-c(c1OC)c23 TN4471
COc1cc(O)c2C(=O)C[C@H](Oc2c1CC=C(C)C)c1cc(CC=C(C)C)c(O)cc1O TN4472
CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2C1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C TN4473
CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2C1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C TN4474
CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2C1[C@H]1[C@@H](CCC2=C)C1(C)C TN4475
CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@H](C)CC[C@H](C=C12)C(C)(C)O TN4476
CC(C)C[C@H]([C@H]1CC[C@@H](C)C2=C[C@H](CC[C@]12C)C(C)(C)O)c1c(O)c(C=O)c(O)c(C=O)c1O TN4477
CC(C)C[C@@H]([C@@H]1CCC(=C)[C@@H]2C[C@@H](CC[C@@]12C)C(C)(C)O)c1c(O)c(C=O)c(O)c(C=O)c1O TN4478
CC(C)C[C@H]([C@@H]1CC[C@@](C)(O)[C@@H]2C[C@@H](CC[C@@]12C)C(C)(C)O)c1c(O)c(C=O)c(O)c(C=O)c1O TN4479
CC(C)C[C@@H]([C@@H]1CC[C@@](C)(O)[C@@H]2C[C@@H](CC[C@@]12C)C(C)(C)O)c1c(O)c(C=O)c(O)c(C=O)c1O TN4480
CC(C)C[C@@H](C1CCC(=C)[C@H]2CC(CC[C@]12C)C(C)(C)O)c1c(O)c(C=O)c(O)c(C=O)c1O TN4481
CC(C)C[C@H]([C@@H]1CC[C@@](C)(O)C2[C@H]3[C@H](CC[C@@]12C)C3(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O TN4482
C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12 TN4484
Oc1ccc(CC=C)cc1-c1cc(C=O)ccc1O TN4485
COC(=O)C[C@H](O)C([O-])=O TN4487
Cn1ccc(=O)c(c1)C#N TN4488
C[C@H](CC\C=C(/C)C(O)=O)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C TN4491
COc1c(O)cc2oc3cc4OC(C)(C)C(O)Cc4c(O)c3c(=O)c2c1CC=C(C)C TN4492
COc1cc2C[C@H]3COC(=O)[C@H]3[C@@H](c3ccc4OCOc4c3)c2c(OC)c1OC TN4496
CCc1cc(O)c(C)c(=O)o1 TN4497
OC[C@H]1O[C@@H](Oc2ccc3C(=O)\C(Oc3c2O)=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN4498
C\C(CC[C@H]1OC(C)(C)OC1(C)C)=C/COc1ccc2ccc(=O)oc2c1 TN4499
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)C2[C@H]2O[C@H]2[C@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C TN4501
C[C@@H]1O[C@@H](Oc2ccc(CC(N)=O)cc2)[C@H](O)[C@H](O)[C@H]1O TN4502
COc1cc(ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@H]1Oc2c(cc(CCCO)cc2O)[C@@H]1CO TN4503
COc1cc(C[C@@]2(O)CO[C@H](c3ccc(O)c(OC)c3)[C@@]2(O)CO)ccc1O TN4504
C[C@@H](CC\C=C(\C)C(O)=O)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C TN4505
COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O)c(OC)c2)ccc1O TN4506
COc1ccc2ccc(=O)oc2c1-c1cc2ccc(=O)oc2cc1OC TN4508
COc1ccc2[C@H]3COc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4[C@@H]3Oc2c1 TN4509
CC(O)C=CC1(O)C(C)C(O)C(O)CC1(C)C TN4511
COc1cc(cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1)[C@H](O)[C@@H](O)CO TN4512
[H][C@@]12[C@@H](O)C(OC(=O)[C@@H]1CCC=C(C)C)[C@]1(C)C3=CC(=O)[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C TN4513
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1 TN4514
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1 TN4515
C[C@H]1Cc2cccc(O)c2C(=O)O1 TN4516
C[C@@]12C[C@]34C(=O)CC=CC3=NC=C3CCC5CCCN1C5C43C2=O TN4517
O[C@@]1(Cc2ccc3OCOc3c2)[C@@H](Cc2ccc3OCOc3c2)COC1=O TN4518
COc1cc(O)c2c(c1)oc1c(O)cccc1c2=O TN4519
COc1cc(\C=C\[C@H]([C@H](O)CO)c2ccc(O)c(OC)c2)ccc1O TN4520
C\C(CC[C@H]1C(=C)CC[C@H]2[C@@]3(C)C[C@H]3CC[C@]12C)=C/C(O)=O TN4521
COC(=O)C(=C)[C@@H]1Cc2cc(ccc2O1)C(C)=O TN4523
COC(=O)C(=C)[C@@H]1Cc2cc(O)c(cc2O1)C(C)=O TN4524
COC(=O)c1c(O)cccc1O TN4525
COC(=O)C1=C[C@H](O)C[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C TN4526
COC(=O)CCc1ccc(O)cc1O TN4527
COC(=O)CCc1ccc(OC)cc1 TN4528
COC(=O)c1ccc2[nH]c3ccccc3c2c1 TN4529
COC(=O)c1cc(O)c(OC)c(OC)c1 TN4530
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(OC)c1 TN4531
COC(=O)[C@@]1(O)C[C@@H](O)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)C1 TN4532
COC(=O)\C=C\c1ccc(OCC=C(C)C)cc1 TN4533
COC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(OC)c1 TN4534
COC(=O)[C@@H](O)C1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)CC[C@@H](C4=C)[C@]12C TN4536
COC(=O)Cc1oc(C(=O)OC)c2c1oc1cc(C)cc(O)c1c2=O TN4537
CO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O TN4538
[H][C@@]12N3CC4C(=O)C[C@@]1(CCC3)CC[C@]1(N(C(=O)OC)c3ccccc3[C@]241)C(=O)OC TN4539
[H][C@@]12N3CC4C(=O)C[C@@]1(CCC3)CC[C@]1(Nc3ccccc3[C@]241)C(=O)OC TN4540
COC(=O)[C@@]12C[C@]11CC[C@@H](C)[C@](C)(CCc3ccoc3)C1[C@@H](OC(C)=O)C=C2 TN4541
COC(=O)C1=CC=CC2=C(CC[C@@H](C)[C@]2(C)CCc2ccoc2)C1 TN4542
COC(=O)CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@H]1C(CC[C@@]21C)[C@]1(C)CC[C@H](O1)C(C)(C)O)C(C)=C TN4543
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1 TN4546
CO[C@@H]1OCC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 TN4547
COC(=O)CCC(C)=O TN4548
COC(=O)CC[C@@H](C)C1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@](C)(CO)[C@@H]1C[C@@H]3O TN4549
COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 TN4550
COC(=O)C(O)Cc1ccc(O)cc1 TN4552
COC(=O)C(\C)=C\C=C\[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@]2(CCC(C)=CC3)OC(C)=O TN4553
COC(=O)C(\C)=C\C=C\[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@]2(CCC(=CC3)C(=O)OC)OC(C)=O TN4554
COC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 TN4556
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 TN4557
COc1ccc(CC(O)CO)cc1OC TN4558
Cc1ccc2c(CCCC2(C)C)c1C TN4559
CN1CCCCC1CC(C)=O TN4560
CCCCCCCCCCNc1ccc(OC)cc1 TN4561
C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)O TN4562
CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O TN4563
COc1cc2oc(=O)ccc2cc1[C@H]1OC(=O)[C@@]2(C)O[C@H]12 TN4564
CC(C)=CCc1c(O)c(CC(O)C(C)=C)c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O TN4565
CC(C)=CCc1c(O)c(CC(O)C(C)=C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O TN4566
CC(C)C(=O)O[C@H]1C[C@@]2(C)O[C@]22C[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)C3=C TN4569
COc1ccc2ccc(=O)oc2c1[C@H](O)[C@@H](O)C(C)=C TN4570
COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C TN4571
COc1cc(cc(OC)c1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C TN4572
C\C=C(/C)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 TN4573
COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O TN4578
CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O TN4580
CC1(C)Oc2cc(cc(O)c2C=C1)-c1cc2ccc(O)cc2o1 TN4581
COc1c(O)cc2oc(cc2c1CC=C(C)C)-c1cc(O)cc(O)c1 TN4582
C[C@@H]1O[C@@H](Oc2ccc(CN=C=S)cc2)[C@H](O)[C@H](O)[C@H]1O TN4583
CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O TN4584
CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O TN4585
COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1C\C=C(/C)CCC=C(C)C TN4586
C[C@]12CC(CC(=C1)c1c(O)cc(cc1O)-c1cc3ccc(O)cc3o1)c1ccc(O)cc1O2 TN4588
CC(C)[C@@]1(O)CC[C@@](C)(O)[C@H](O)C1 TN4590
COc1ccc2ccc(=O)oc2c1C(C=O)=C(C)C TN4591
COc1ccc2ccc(=O)oc2c1[C@@H](O)[C@@H](O)C(C)=C TN4592
COc1ccc2ccc(=O)oc2c1[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=C TN4593
COc1ccc2ccc(=O)oc2c1\C=C\C(C)(C)O TN4594
CCO[C@H]([C@@H](O)C(C)=C)c1c(OC)ccc2ccc(=O)oc12 TN4595
COc1cc2CCC3OC(=O)C=C3c2cc1O TN4596
COc1cc2[C@H]3C=C[C@@H](O[C@H]3CCc2cc1O)c1ccc(O)cc1 TN4597
CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4598
CC1(C)CC[C@]2(CO)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 TN4601
COc1cc2CCCC[C@@H](O)[C@H](O)Cc3ccc(O)c(c3)-c(c2)c1O TN4602
COc1c(O)c2CCCCC(O)CCc3ccc(O)c(c3)-c(c2)c1OC TN4603
COc1c(O)c2CCCCC(=O)CCc3ccc(O)c(c3)-c(c2)c1OC TN4604
CC1(C)[C@@H]2C[C@H]1C(CO)=CC2 TN4608
CC(=O)CCc1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 TN4609
COC(=O)[C@]1(CO)[C@H]2C[C@H](O)[C@@]34Nc5ccccc5[C@@]13CCN4C\C2=C\C TN4610
COn1c2[C@@H]3C[C@H]4C(CO3)[C@H](Cc2c2ccccc12)N(C)C\C4=C/C TN4611
C[C@H](O)C[C@H]1CCCCN1C TN4612
COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1O TN4613
CC(C)(C=C1)OC(c(cccc2)c2N2C)=C1C2=O TN4614
C[C@H](O)C[C@@H]1CCCCN1C TN4615
COc1cc(CCNC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O TN4617
COc1cc(/C=C/C(NCCc(cc2)ccc2O)=O)cc(OC)c1O TN4618
COCN1c2ccccc2[C@]23C[C@@H]4O[C@]12[C@@H]1CC(C3C(=O)OC)\C(CN41)=C/C TN4620
Oc1ccc(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\c2ccc(O)cc2)cc1 TN4621
Cc1nccc2c3ccccc3n(C)c12 TN4622
CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@]3(C)C1[C@]2(C)[C@@H]1O[C@@H]1[C@@H]3O TN4623
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 TN4624
C[C@@H]1C[C@H](O)C=C2C(=O)C=C[C@@H](O)[C@@]12C TN4625
C[C@@H]1CCC=C2C(=O)C[C@@H](O)[C@@H](C(C)(C)O)[C@@]12C TN4626
COc1cc(\C=C\CO)cc(OC)c1OC\C=C(/C)CCC=C(C)C TN4628
C\C(CCC[C@](C)(O)C1=CC(=O)C(C)(C)O1)=C/[C@@H]1CC(C)=CC(=O)O1 TN4629
CC(CCC\C(C)=C\[C@@H]1CC(C)=CC(=O)O1)C1=CC(=O)C(C)(C)O1 TN4630
C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34 TN4631
COc1c2ccoc2c(OC[C@H](O)C(C)=C)c2oc(=O)ccc12 TN4632
CC(C)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=O TN4633
CC(C)(O)C1Cc2c(oc3c4C=CC(C)(C)Oc4cc(O)c3c2=O)-c2ccc(O)cc2O1 TN4634
C[C@@H]1NC(=O)\C(NC1=O)=C\c1c([nH]c2ccccc12)C(C)(C)C=C TN4635
CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1c(C)cc(O)cc1O TN4637
CCN1C[C@]2(CO)CCC(O)[C@@]34[C@@H]5C[C@H]6C(O)[C@H]5[C@](O)(CC6OC)C(C(OC)[C@@H]23)C14 TN4638
CN1CCc2cc3OCOc3c3-c4cc5OCOc5cc4C[C@H]1c23 TN4639
CC(C)=CCc1c(O)cc(O)c2C(=O)[C@@H](O)[C@@H](Oc12)c1ccc(O)cc1 TN4640
CC(C)=C1C[C@H]2C(CC[C@]2(C)O)=C(C)CC1=O TN4641
COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O TN4642
COc1c2C=CC(C)(C)Oc2cc2OCC(=Cc12)c1ccc(O)cc1O TN4643
O=c1cccc2[C@@H]3CCCN4CCC[C@H](Cn12)[C@@H]34 TN4644
CC[C@H]1[C@H]2OC(=O)[C@@H](C)C2[C@@H]2CCN3CCCC[C@H]1[C@H]23 TN4645
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(COC1=O)[C@H]2CC3 TN4646
[H][C@]12CCCCN(C(CC(=O)[C@@H]3[C@@H](C)C(=O)O[C@@H]3[C@@H]1CC)[C@@H]1C[C@H](C)C(=O)O1)C2=O TN4647
Oc1ccc(\C=C/OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O TN4648
C[C@@]12C(CC[C@H]1[C@@H]1C=CC3=CC(=O)CC[C@]3(C)[C@H]1CC2=O)[C@H](O)CO TN4649
CC(C)=CCc1cc(cc(CC=C(C)C)c1O)C(O)=O TN4650
C[C@H]1CC(=O)C2=C(O1)c1cc(O)c(O)cc1OC2 TN4651
CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 TN4652
COC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 TN4653
C[C@@H]1O[C@@H](Oc2ccc(CC#N)cc2)[C@H](O)[C@H](O)[C@H]1O TN4654
C[N@+]1([O-])CCC[C@H]1c1cccnc1 TN4655
OCc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O TN4656
COc1cc(O)c2c(oc3c(O)c4OC(C)(C)C=Cc4cc3c2=O)c1CC=C(C)C TN4657
C\C=C1/C[C@@H](C)[C@H](O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TN4658
COC1=C2OCOC2=CC(C[C@@H](COC)[C@H](COC)CC3=CC=C(OC)C(OC)=C3)=C1 TN4660
COC(=O)c1c(O)c2ccccc2c2OC(C)(CO)C=Cc12 TN4663
COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1OC TN4664
CC1(C)Oc2c(O)cc3ccc(=O)oc3c2C=C1 TN4665
CC(=O)O[C@H]1CCC(C)(C)[C@@]2(O)C[C@H](O)[C@@H]3[C@H](Cc4occc4C3=O)[C@@]12C TN4666
O=C1CC2CCC1C2 TN4667
C\C=C1\CN2CC[C@@]34[C@@H]2C[C@@H]1C(C=O)=C3Nc1ccccc41 TN4668
OCc1cc(=O)c2c(O)c3ccoc3cc2o1 TN4669
C[C@@H]1Cc2cc(C)c(CO)c(C)c2C1=O TN4671
C[C@@H]1Cc2cc(C)c(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2C1=O TN4672
COc1cc(C[C@@H]2COC(=O)[C@@]2(O)Cc2ccc(O)c(OC)c2)ccc1O TN4673
COc1cc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O TN4675
CC1(C)O[C@H](CC#Cc2ccc(O)c(O)c2)[C@H](O1)c1ccc(O)c(O)c1 TN4680
O[C@@H](CC#Cc1ccc(O)c(O)c1)[C@H](O)c1ccc(O)c(O)c1 TN4681
OC[C@H]1O[C@@H](O[C@H](CC#Cc2ccc(O)c(O)c2)[C@H](O)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN4682
Oc1ccc(\C=C/[C@@H](C=C)c2ccc(O)cc2)cc1 TN4683
C[C@@H]1COC(=O)[C@H]2O[C@@](C)(O)[C@@]3(CC=C(C)C(=O)[C@H]3OC(C)=O)[C@@H]12 TN4684
CC1(C)Oc2c(O)c3oc4cc(O)cc(O)c4c(=O)c3cc2C=C1 TN4686
COc1cc(\C=C\CO)ccc1OC\C=C(/C)CCC=C(C)C TN4687
COC1=C[C@@]23CCN(C)[C@@H](Cc4cc(OC)c(OC)cc24)C3=CC1=O TN4688
O=C1C[C@@H](C[C@H]2CC=CC(=O)O2)OC(\C=C\c2ccccc2)=C1 TN4689
COc1cc2O[C@H]([C@H](C)c2cc1OC)c1ccccc1 TN4690
CCCCCCCCCCCCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 TN4691
CCCCCCCCCCCCCCCCCCOC(=O)\C=C\c1ccc(O)cc1 TN4692
C[C@@H]([C@H]1OC(C)(C)[C@@H](O)[C@H]1O)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C TN4694
CC[C@H](C)C(=O)N[C@H]1CCCN1C(=O)\C=C\c1ccccc1 TN4695
CC[C@](C)(O)C(=O)N[C@H]1CCCN1C(=O)\C=C\c1ccccc1 TN4696
C\C=C(\C=O)[C@@H](CC=O)CC(=O)OCCc1ccc(O)c(O)c1 TN4700
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 TN4701
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 TN4702
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1 TN4703
C\C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(O)=O)C(O)=O TN4705
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CCC(=CC1)C(O)=O TN4706
COc1cc(C[C@@]2(O)CO[C@@H]([C@H]2CO)c2ccc(O)c(OC)c2)ccc1O TN4708
Oc1cc(O)c(C(=O)COC(=O)c2ccccc2)c(O)c1 TN4709
C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O TN4710
Cc1c2C(=O)C(C)(C)Cc2c(O)c(C)c1CCO TN4711
Cc1c2C(=O)[C@](C)(CO)Cc2c(O)c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4712
Cc1c2C(=O)[C@](C)(CO)Cc2c(O)c(C)c1CCO TN4713
COc1cc2c(cc1O)oc1cc(O)c(OC)c(O)c1c2=O TN4714
COc1ccc(CC2COc3c(OC)c(O)c(C)c(OC)c3C2=O)c(O)c1 TN4715
CC(C)C1=CC[C@@]2(C)[C@H](O)CC[C@](C)(O)[C@@H]2C1 TN4716
CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H](C12)C(C)=O TN4717
CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)\C2=C\O[C@@H]2OC(=O)C(C)=C2)C2=C1CCCC2(C)C TN4718
C[C@@H]1O[C@@]11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O TN4724
COc1ccc2c3ccc4cc5OCOc5cc4c3n(C)c(=O)c2c1OC TN4725
C[C@]1(O)[C@H](O)CC[C@]2(C)CCC(=O)C=C12 TN4726
COc1cc(ccc1O)C(=O)OCCc1ccc(O)cc1 TN4727
CC(C)[C@H]1C[C@H](O)C(C)=C[C@@H]1O TN4728
CC(=C)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 TN4729
OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(C=C)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O TN4730
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)N(C)C TN4731
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)C=C(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C TN4732
CC(C)(C=C)c1c(O)cc(O)c2c1oc1c(O)cccc1c2=O TN4733
CC1=CC(OC1=O)[C@H]1CCCN1CCC\C=C1/OC(=O)C(C)=C1 TN4734
COC(=O)[C@H](C)CCc1c[nH]c2ccccc12 TN4735
COn1cc(CC[C@@H](C)CO)c2ccccc12 TN4736
C[C@@H](CO)CCc1c[nH]c2ccccc12 TN4737
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)[C@H]3O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4738
CC(C)=CCc1cc2c(oc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c2=O)c(O)c1O TN4739
COc1cc(O)c2c(oc3c(O)c(O)c(CC=C(C)C)cc3c2=O)c1CC=C(C)C TN4740
COc1cc2oc(c(C)c2cc1O)-c1ccccc1 TN4741
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(c(O)c(=O)c2c1O)-c1ccc(O)c(O)c1 TN4742
COc1c(O)c(CC=C(C)C)cc2OC(=O)c3c(O)c(CC=C(C)C)c(O)cc3Oc12 TN4743
COC(=O)C1=C2CCC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@@H]4[C@@]2(C)[C@@H](C[N@+]4([O-])C[C@H]1C)CC3 TN4744
COC(=O)C1=C2CCOC3=C2[C@]2(C1)C1[C@@H](C[N@+]4([O-])C[C@@H](C)[C@@H](C[C@H]14)C2=O)CC3 TN4745
COc1c(O)c(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1OC TN4746
COc1cc(cc(OC)c1OC)C1C2C(COC2=O)Cc2c(O)c3OCOc3cc12 TN4747
COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC TN4748
CO[C@@H]1C(=O)C[C@]23CCN(C)[C@@]22C[C@H](O[C@@]12OC)c1cc2OCOc2cc31 TN4750
CO[C@H]1C(=O)C[C@]23CCN(C)[C@@]22C[C@H](OC12OC)c1cc2OCOc2cc31 TN4751
COc1cc2C[C@@H](Oc2c2C=COC=Cc12)C(C)(C)O TN4752
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)C[C@H](Oc2c1)c1ccc(OC)c(O)c1 TN4754
CCC(C)C(=O)O[C@H]1[C@H](OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21 TN4755
C\C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN4756
C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN4757
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)Cc1cc2ccc(=O)oc2cc1O TN4758
CC(C)(O)[C@H](O)Cc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4759
CC(C)(O)CCc1c2O[C@@H]3[C@H](COc4cc(O)ccc34)c2ccc1O TN4760
COC(C)(C)[C@@H](O)[C@H](O)C[C@H](C)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C TN4762
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C TN4763
CC1=C2[C@@H](CC3=C(CC[C@@H]4[C@](C)(CO)CCC[C@@]34C)[C@@H]2O)OC1=O TN4764
CC1=C2[C@@H](CC3=C(CC[C@@H]4[C@](C)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@@]34C)[C@@H]2O)OC1=O TN4765
CC(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O TN4766
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2[C@](C)(C[C@@H](O)[C@@]12O)OC(C)=O TN4767
C[C@@H]1[C@@H](O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@]13O)C2(C)C TN4768
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC4=C)CC[C@H]12 TN4769
COC[C@H]1Cc2cc(OC)c(OC)cc2[C@H]([C@@H]1COC)c1ccc(OC)c(OC)c1 TN4771
CC1=C(C)C(=O)OC(C1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@@H]3CC=C4[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C TN4780
CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 TN4782
COC(=O)[C@]1(C=O)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@@]11c4ccccc4N[C@@]31O2 TN4783
COC(=O)[C@]1(COC(C)=O)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@@]11c4ccccc4N[C@@]31O2 TN4784
COc1cnc(C=C)c2[nH]c3c(O)cccc3c12 TN4785
COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](OC(C)=O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C TN4786
COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C TN4787
COc1cc(ccc1OC[C@@H](O)C(C)(C)O)-c1coc2cc3OC(C)(C)C=Cc3cc2c1=O TN4788
CCC(=O)O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccccc1 TN4789
COc1cc(O)cc2O[C@@H]([C@@H](O)C(=O)c12)c1ccccc1 TN4790
CC(=O)Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 TN4791
CC(=O)Oc1cc(OC(C)=O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 TN4792
CC(O)=O.CC(O)=O.COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(O)c(OC)c1 TN4793
C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CCOC1=O)C(O)=O TN4794
COc1ccc(cc1OC)[C@H]1O[C@@]2(CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C)OC TN4795
COc1cc(\C=C/C(=O)N2CCCC2)cc(OC)c1OC TN4796
COc1c2C(=O)Nc3cc4ccccc4c(c(OC)c1OC)c23 TN4797
CC(=O)OCC1=C2[C@H](C[C@@](C)(O)[C@@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O)OC(=O)C(C)=C TN4798
CCOCC1=C2[C@@H](C[C@@](C)(O)[C@@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O)OC(=O)C(C)=C TN4799
COc1ccc2[C@@H]3Oc4cc5OCOc5cc4[C@]3(O)COc2c1 TN4800
C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C TN4801
Oc1ccc(cc1O)[C@@H]1CC(=O)c2cc(O)c(O)cc2O1 TN4802
Oc1ccc(CC\C=C\C(=O)CCc2ccc(O)cc2)cc1 TN4808
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 TN4809
OC(CCc1ccc(O)cc1)CC(=O)CCc1ccc(O)cc1 TN4810
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=CC21OC(=O)C(=C1)[C@H](C)O TN4811
COc1cc(C[C@@H]2[C@@H](Cc3ccc4OCOc4c3)COC2=O)ccc1O TN4812
CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12 TN4814
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C TN4816
Cc(c(O)c(C(CC(c(cc1)ccc1O)O1)=O)c1c1)c1O TN4818
C\C=C(\C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21 TN4819
COc1cc(C[C@H](C)[C@H](C)Cc2cc(O)c(OC)c(OC)c2)cc(O)c1OC TN4821
CC(C)C1CCC2(C)C3COC(O)C(C13)C2=C TN4822
CC(C)[C@H]1CC[C@]2(C)[C@H]3COC(=O)[C@H](C13)C2=C TN4823
CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O TN4824
COc1cc(ccc1OCC=C(C)C)[C@H]1OC[C@H]2[C@H]1CO[C@@H]2c1ccc2OCOc2c1 TN4825
COC(=O)[C@]12C3=C(C(=O)c4ccccc4C3=O)[C@](O)(c3ccccc3C1=O)[C@]21OC(C)(C)C=C1 TN4826
COc1ccc2c(OC)c(CC=C(C)C)c(=O)[nH]c2c1OC TN4827
CC(C)(O)[C@@H]1Cc2c(O1)cc1oc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(=O)c1c2O TN4828
COc1c(C(C)C)c2OC(C)(C)C3CCc4c(C)ccc1c4c23 TN4830
C[C@]12O[C@H]1[C@H](O)[C@]1(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21 TN4831
COC1=CC[C@]23CCN(C)[C@]2(C[C@H](O)c2ccc(OC)c(OC)c32)C1=O TN4832
COC1=CC[C@]23CCN(C)[C@]2(C[C@H](O)c2cc4OCOc4cc32)C1=O TN4833
Cc1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@@]4(CO3)c2cc1O TN4835
C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(O)=O TN4836
C[C@H]1C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC=C1C TN4837
CC\C=C/[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)c1ccccc1 TN4838
CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H]([C@H]1CCC2=C)c1ccccc1 TN4839
COc1cc(C(O)=O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C TN4840
C[C@@H]1C[C@@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(C)C3(CC3)[C@@](C)(O)[C@H]2C1=O TN4841
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3ccc(C=C)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O TN4842
C[C@]1(CCC[C@]2(C)C1[C@@H](O)C[C@@]13C[C@@](O)(CC=C21)C(=C)C3=O)C(O)=O TN4843
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CC=C21)C(=C)C3=O)C(O)=O TN4844
C[C@@H]1[C@H]2C[C@@]3(C[C@@H](O)C4[C@@](C)(CCC[C@@]4(C)[C@]3(O)CC2)C(O)=O)C1=O TN4845
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]21O)[C@@](O)(CO)C3=O)C(O)=O TN4846
O[C@@]12COC3=CC(=O)C=C[C@]3(O)[C@@H]1Oc1cc3OCOc3cc21 TN4847
COc1ccc2c(O[C@@H]3[C@@]2(O)COC2=CC(=O)C=C[C@]32O)c1 TN4848
O[C@@]12COC3=CC(=O)CC[C@]3(O)[C@@H]1Oc1cc3OCOc3cc21 TN4849
COc1ccc2c(O[C@@H]3[C@@]2(O)COC2=CC(=O)CC[C@]32O)c1 TN4850
CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1 TN4851
C[C@H]1CCC[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O TN4852
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)C[C@](C)(CO)[C@H]1CC3 TN4853
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]21O)C(=C)C3)C(O)=O TN4854
COC1CCC(=O)N1 TN4855
Cc1cc2[C@H](O)C(C)(C)C(=O)c2c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN4856
COc1ccc(C2=CC(=O)O[C@@H]2Cc2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 TN4857
COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1 TN4858
COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 TN4861
CC1(C)Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C=C1 TN4867
OC[C@H]1O[C@@H](Oc2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O TN4868
COC(=O)[C@@]12CCC3=C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)CC2 TN4869
Cc1coc2cc(C)c3CCC(C)=Cc3c12 TN4870
Cc(cc(cc1)O)c1O TN4871
C\C=C(/C)C(=O)O[C@H]1C(=O)c2c(OC1(C)C)ccc1ccc(=O)oc21 TN4873
CC(C)(O)[C@H]1Cc2cc3ccc(=O)oc3c(O)c2O1 TN4874
COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1OC TN4875
COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1OC TN4877
COc1cc(O)cc2C(=O)c3cc(CO)cc(O)c3C(=O)c12 TN4879
C\C=C(/C)C(=O)O[C@H]1[C@@H](O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN4880
O[C@@]12CCOC1(Nc1ccccc21)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C TN4881
Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 TN4882
O.O.O.O.OS(O)(=O)=O.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 TN4883
COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O TN4889
CC(=O)OC[C@@H]1C(C)(C)CC[C@H](OC(C)=O)[C@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O TN4890
CO[C@H]1O[C@@]2(O)[C@@H](O)[C@@H]3C(C)(C)CC[C@H](O)C13[C@@H]1CC[C@@H]3[C@@H](O)[C@]21C(=O)C3=C TN4891
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1C)C(O)=O TN4892
CCCCCCCCCCCCCC(C(C(O)=CC1=O)=O)=C1O TN4893
C\C=C(\CO)[C@@H]1C[C@@H]2N(C)[C@@H](Cc3c2[nH]c2ccc(O)cc32)[C@H]1CO TN4895
C[C@H]1[C@H]2COC(O)C3[C@@H]2C[C@@H]2N1[C@H]3Cc1c2[nH]c2ccc(O)cc12 TN4898
CO[C@@H]1N=C[C@@H]2[C@H](C)N3[C@H]4Cc5c([nH]c6ccccc56)[C@@H]3C[C@H]2C14 TN4899
COC(=O)[C@]1(COC(C)=O)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4ccc(O)cc4N[C@]31O2 TN4900
CC(C)=CCOc1cc(=O)n(C)c2ccccc12 TN4902
O[C@@H]1CCC(=O)c2c(O)cccc12 TN4903
O[C@@H]1[C@@H](Cl)[C@]2(O)CO[C@H]3OCC[C@@H]1C23 TN4904
O[C@H]1CC[C@@](O)(CC(O)=O)CC1 TN4906
OCC[C@]1(O)CC[C@H](O)CC1 TN4907
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C TN4908
C[C@H](O)CCc1ccc(O)cc1 TN4909
CO[C@H]1O[C@H]2[C@H](N(C)CCc3cc4OCOc4cc23)c2ccc3OCOc3c12 TN4910
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc2C(=C(C)C)C(=O)Oc12 TN4911
CC(=C)[C@@H]1CC[C@](C)(O1)C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C TN4912
C\C=C1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TN4913
CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12 TN4914
Oc1ccc(C(=O)\C=C\c2cc(O)c(O)c(O)c2)c(O)c1 TN4915
Oc1ccc2C(=O)C[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 TN4916
C[C@@]12CCC[C@]3(OC1=O)[C@H]2CC(=O)[C@@H]1C[C@@](C)(CC[C@@]31C)C=C TN4917
C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C TN4918
CC(C)[C@@H]1C[C@@H](O)C2[C@@]1(C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C TN4922
C[C@]12CC[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]34C)[C@]1(O)CCC2=O TN4926
CC(C)CC(=O)O[C@@H]1O[C@H]2O[C@]3(C)[C@@H](O)C[C@@H](C13)C2=C TN4927
CC(=C)C1Cc2c(O1)cc(O)c1c2n(C)c2ccccc2c1=O TN4928
CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3c(O)c2O1 TN4930
C[C@H](CCO)CCC=C(C)C TN4931
CC(C)c1cc2CCC3=C(C(=O)CCC3(C)C)c2c(O)c1O TN4932
CC(C)c1cc2ccc(C)c3C[C@@H](Oc(c1O)c23)C=C(C)C TN4933
C[C@H]1[C@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O TN4934
CC(C)C(=O)CCc1c(C)ccc2C=C(C(C)C)C(=O)C(=O)c12 TN4936
CC[C@H](C)C[C@@H](C)\C=C(/C)[C@@H]1O[C@@H](CC[C@H]1C)c1c(O)c(cn(C)c1=O)-c1ccc(O)cc1 TN4937
CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN4938
COc1ccc2cc(oc2c1)-c1cc(O)c(CC=C(C)C)c(O)c1 TN4939
CC(C)=CCC\C(C)=C\Cc1c(O)c(CC=C(C)C)cc(C2CC(=O)c3c(O)cc(O)cc3O2)c1O TN4940
CC(C)=CCCC1(C)Oc2ccc(C3CC(=O)c4c(O)cc(O)cc4O3)c(O)c2C=C1 TN4941
CC(C)=CCCC1(C)Oc2c(ccc(O)c2C=C1)-c1oc2cc(O)cc(O)c2c(=O)c1CC=C(C)C TN4942
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 TN4944
CC(C)C1=Cc2ccc(C)c3CCC(C(C)=C)[C@@](O)(C1=O)c23 TN4945
COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1OC1CO TN4948
CC1Oc2cc(oc(=O)c2C1(C)C)-c1ccc(O)c(O)c1 TN4950
C\C=C(\C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)C(\CO)=C/C)[C@H]12 TN4951
C\C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC[C@H](COC(=O)C(\CO)=C/C)[C@H]12 TN4952
COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1 TN4953
COC(=O)[C@@]12C=CC=CC1=NC=C1CC3=C4N(C[C@@H](C=C)C214)CCC3 TN4954
COC(=O)[C@]12C[C@]3(C=C)C=CC[N@+]4([O-])CC[C@]1([C@H]34)c1ccccc1NC2=O TN4955
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3[C@H](O)C=C(CO)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O TN4956
C[C@@H]1[C@@H](C)[C@](O)(CO)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 TN4957
COc1c2OCOc2cc2[C@H]3O[C@H]([C@H](C)[C@@H]3C)c3cc4OCOc4c(OC)c3-c12 TN4958
COc1cc2C[C@@H](CO)[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](c3ccc(O)c(OC)c3)c2cc1O TN4959
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN4960
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN4961
COC(=O)C1=C2Nc3c(cccc3O)[C@@]22CCN3CC([C@H](C)O)[C@@H]1C[C@@H]23 TN4962
Oc1cc(O)c2C(=O)[C@@]3(Cc4cc5OCOc5cc34)COc2c1 TN4963
C\C(CC[C@H]1C(=C)C[C@@H](OC(=O)c2ccccc2)C2[C@](C)(CO)CCC[C@]12C)=C/CO TN4967
CN1[C@H]2C[C@H]3C[C@@H]1[C@@H](O)[C@@H]2O3 TN4968
CC1(C)C=C(CO)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@H](O)C(C)(C)CC[C@@]3(CC[C@@]12C)C(O)=O TN4969
[H][C@@]12[C@@H]3OC[C@]1(C)CC[C@H](O3)[C@]21COC(=O)[C@@]23C[C@@H](CC[C@@H]12)C(=C)[C@H]3O TN4971
OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN4978
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O TN4979
COC(C[C@H]1[C@@H](C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC)OC TN4981
C[C@]12CCCC(C)(C)[C@H](C=C1CO)[C@@H]2CCO TN4982
COC(=O)C[C@H]1[C@@H](C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC TN4983
O[C@@H]1C[C@@]23OC(=O)C=C2C[C@@H]1N1CCCC[C@H]31 TN4984
CO[C@H]1CCN2[C@H]3C[C@@]4(OC(=O)C=C4C=C3)[C@@H]2C1 TN4985
C\C=C(\C)C(=O)OC1Cc2c(OC1(C)C)ccc1ccc(=O)oc21 TN4986
C\C1=C\C[C@H](O)C(=C)[C@H]2CC[C@]3(COC1=O)[C@@H]2CC[C@H]1[C@@]3(C)CCC2C(C)(C)[C@@]3(O)CC[C@]12CO3 TN4987
[H][C@@]12[C@@H](O)C(OC(=O)[C@@H]1CCC=C(C)C)[C@]1(C)C3=CC(=O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C TN4988
C[C@@H]1[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1=C)[C@@H]23 TN4989
CC1(C)[C@@H]2CC(=O)OC[C@@]22[C@H]3CC[C@]4(C)[C@@H](CC(=O)O[C@H]4c4ccoc4)[C@]33C[C@@H](C1=O)[C@]2(O)O3 TN4990
O=C1O[C@@H](CCCC)C=2CCC=CC1=2 TN4991
CCCCC1(O)OC(=O)C2=C1CCC=C2 TN4992
COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1O TN4993
OC[C@@H](O)[C@@H](\C=C\c1ccc(O)cc1)c1ccc(O)c(O)c1 TN4994
COc1cc(ccc1O)[C@H](\C=C\c1ccc(O)cc1)[C@H](O)CO TN4995
COc1cc(ccc1O)[C@H](\C=C\c1ccc(O)cc1)C1COC(C)(C)O1 TN4996
COC(=O)C1=CO[C@@H](C)[C@H]2C[n+]3ccc4c5ccccc5[nH]c4c3C[C@H]12 TN4997
C[C@@H]1OC=C([C@H]2Cc3[n+](C[C@H]12)ccc1c2ccccc2[nH]c31)C([O-])=O TN4998
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 TN4999
CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 TN5000
CCO[C@@H]1OC(O)[C@]23[C@H]1C(C)(C)CC[C@@H]2OC(=O)[C@@]12C[C@@H](CC[C@@H]31)C(=C)C2=O TN5001
COc1cc(cc2OCOc12)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1 TN5002
CC[C@H]1[C@@H]2OC(=O)[C@H](C)C2[C@H]2CC([C@@H]3C[C@H](C)C(=O)O3)N3[C@@H]4CCC[C@H]1[C@]23O4 TN5003
C[C@@H]1C[C@H](O)C(=O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@H](OC(C)=O)C(=O)[C@H]2[C@@]13C TN5006
CC1=C2C[C@H]3[C@H](CO)[C@H]4C[C@H]4[C@]3(C)C=C2OC1=O TN5007
C[C@@]12C=C3OC(=O)C(CO)=C3C[C@H]1[C@H](CO)[C@H]1C[C@@H]21 TN5008
CC(=O)OC[C@@H]1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(CO)=C3C[C@@H]12 TN5009
CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C(CC[C@@]23C)[C@]2(C)CC[C@@H](O2)C(C)(C)O)[C@@]1(C)CCC(O)=O TN5014
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CO)[C@@H](C1)CC[C@@H]23)C(O)=O TN5019
CC(C)=CCc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)c(CC=C(C)C)c(O)c1O TN5020
COc1cc(ccc1O)[C@@H]1[C@H]2COC(=O)[C@H]2C(=C[C@H]1C(O)=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O TN5022
COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO TN5023
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](OC(C)=O)C4(C)C)[C@]3(C)CC[C@@]21C TN5024
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@@]21C TN5025
Oc1ccc(cc1CC=C)-c1cc(CC=C)cc(c1O)-c1cc(CC=C)ccc1O TN5026
COc1cc(\C=C\C=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN5027
OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN5028
COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O TN5029
CCC(CCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C TN5031
COc1cc(O)c2c(oc(cc2=O)-c2ccccc2O)c1OC TN5033
CO[C@H]1Oc2cc(O)ccc2[C@H]2Oc3cc(OC)ccc3[C@H]12 TN5035
CO[C@H]1Oc2cc(O)ccc2[C@@H]2Oc3cc4OCOc4cc3[C@H]12 TN5036
CC(C)[C@H]1CC[C@]2(C)[C@@H](CO)C1C([C@@H]1C[C@@H](O)C(=O)O1)C2=C TN5039
C\C=C1/CC(=C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TN5041
OC[C@H]1O[C@@H](Oc2ccc3C[C@H](O)C(=CC(=O)Oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN5043
CC(=O)O[C@@H]1[C@H]2OC3N4CCO[C@H]4[C@]4(C)CCC[C@@]3([C@@H]3C[C@@H]5CC[C@]23CC5=C)C14 TN5045
C[C@@]12CCC[C@]34C(O[C@H](C[C@H]13)[C@@]13CC[C@@H](C[C@@H]41)C(=C)[C@@H]3O)OC2=O TN5046
CC1(C)CCC[C@]2(C)[C@@H]1C[C@@H](OC(=O)\C=C\c1ccccc1)[C@]13CC[C@H](C[C@@H]21)[C@@](C)(O)C3 TN5047
CC1(C)CCC[C@]2(COC(=O)\C=C\c3ccccc3)[C@@H]1CC[C@]13CC[C@H](C[C@@H]21)[C@@](C)(O)C3 TN5048
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2[C@@H]1CC[C@]2(O)CO TN5049
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(O)C(C)(C)O TN5051
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]11Cc2c(O1)c(\C=C\C(C)=O)c(CO)cc2O TN5053
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]11Cc2c(O1)c1C(=O)OCc1cc2O TN5054
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]11Cc2c(O1)c1CN(CCO)C(=O)c1cc2O TN5057
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]11Cc2c(O1)c1COC(=O)c1cc2O TN5058
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]11Cc2c(O1)c1CNC(=O)c1cc2O TN5059
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]56CO[C@@]7(C)OC[C@@H](OC5=C4C=CC3=C2)C67)O[C@H](C)[C@H]1O TN5060
[H][C@]12Cc3c(OC)cccc3-c3c4OCOc4cc(CCN1C)c23 TN5061
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN5062
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C TN5063
CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN5064
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C TN5065
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3)C(C)C TN5066
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN5067
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN5068
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C TN5069
Cc1c(O)cc(CCc2ccccc2)cc1O TN5070
COc1cc(O)cc(CCc2ccccc2OC)c1 TN5071
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O TN5073
CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@H]12 TN5074
Oc1cccc2c1oc1c(O)ccc(O)c1c2=O TN5075
CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CCC1=O)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4 TN5076
OS(=O)(=O)C[C@H]1[C@@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC1=O TN5077
OS(=O)(=O)C[C@@H]1[C@@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC1=O TN5078
COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O TN5079
OC[C@H]1O[C@@H](OC\C(COC(=O)\C=C\c2ccc(O)cc2)=C/C#N)[C@H](O)[C@@H](O)[C@@H]1O TN5080
C[C@@]12CCC[C@@](C)([C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O TN5081
COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O TN5086
COc1cccc(OC)c1O TN5088
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc(OC)ccc12 TN5089
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O TN5090
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 TN5091
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C=C2)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 TN5092
Cc1coc-2c1C(=O)C(=O)c1c3CCC[C@](O)(CO)c3ccc-21 TN5095
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@]2(C)O TN5096
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O TN5097
Cc1coc2c1oc(=O)c1c2ccc2c(C)cccc12 TN5098
C[C@H]1C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C TN5099
COc1ccc2c3c1oc(=O)c1c(CCN(C)C)cc(OC)c(oc2=O)c31 TN5100
OC[C@H]1O[C@@H](Oc2cc(ccc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O TN5110
O[C@@H]1CO[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H]1O TN5111
OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN5117
CC(C)C1=C(O)C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O TN5119
CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)\C=C3/C[C@@](C)([C@H](C[C@@H]3O)OC(C)=O)C(=O)[C@H](O)C(=C1C)C2(C)C TN5123
C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@@H](CC[C@]31C)C(=C)C2 TN5128
C[C@H]1COC2=C1C(=O)C(=O)c1c3CCC=C(C)c3ccc21 TN5129
CCCC#CCC1CCC(=O)O1 TN5132
COc1c(O)cc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1 TN5133
C\C(CC\C=C(/C)CCC=C(CO)CO)=C/CC\C=C(/C)CC\C=C(/C)CCC=C(CO)CO TN5134
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]32C)C1(C)C TN5135
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C TN5136
COc(cc1)ccc1C(Oc(cc(cc1OC)OC)c1C1=O)=C1OC TN5137
CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@](C)(O)C2[C@@H]1O TN5138
COc1cc2CCN(C)C(=O)c2cc1O TN5139
COc1cc(ccc1O)[C@H](O)[C@H](C)O TN5142
COc1cc(cc(OC)c1O)[C@@H](O)[C@H](O)CO TN5143
C[C@H](O)[C@@H](O)\C=C\C=C\C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 TN5144
COc1cc(ccc1O)[C@@H](O)[C@H](O)CO TN5145
COc1cc(O)cc(\C=C\c2cccc(O)c2)c1 TN5146
O=C1OCC=C1[C@H]1CCc2ccc3C(=O)O[C@@H](c4ccoc4)c3c2C1 TN5147
CC(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 TN5149
COc1cc2oc(=O)ccc2c(O)c1OC TN5151
COc1c(oc2cc(O)c(CC=C(C)C)c(O)c2c1=O)-c1ccc(O)cc1 TN5152
C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O TN5153
C[C@H]1C[C@@H](O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O TN5154
CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C TN5156
COc1c(O)cc2oc3c(O)cccc3c(=O)c2c1O TN5157
CC(C)[C@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12 TN5158
CCO[C@@H]1[C@H](Oc2cc(O)c(cc12)C(C)=O)C(C)=C TN5160
CC(=C)[C@H]1Oc2cc(O)c(cc2[C@@H]1O)C(C)=O TN5161
CCC\C=C\CO TN5162
OC(=O)c1ccccc1.CO[C@@H]1[C@@H](O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN5163
Oc1ccc(\C=C\[C@H](C=C)c2ccc(O)cc2)cc1 TN5164
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1O TN5165
COc1ccc(\C=C\C)cc1OC TN5166
CO[C@@H]1[C@@H](O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 TN5167
C[C@H]1[C@H](O)c2cc(C)c(CO)c(C)c2C1=O TN5168
Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1 TN5171
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@@]23CO[C@@]1(O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CC[C@H]3O TN5172
CC(=NCC(O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 TN5174
COC(=O)C1(C)CCCc2c1ccc1C3=C(C(C)CO3)C(=O)C(=O)c21 TN5178
CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1 TN5179
CC(C)c1ccc2c(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)c1O TN5180
C[C@H]1[C@@H](C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O TN5181
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@H](O)[C@]3(C)CC[C@@]12C)C(O)=O TN5182
C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CCC5=C(C)C(=O)[C@@H](O)C[C@H]5[C@]4(C)CC[C@@]23C)[C@H](O)C1=O TN5183
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12 TN5184
COc1c(cc(O)c2c1CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C)C(C)C TN5185
CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O TN5186
CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O TN5187
CC(C)C1=CC(=O)C2=C(CC[C@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=O TN5188
COc1cc(CCc2cc(O)cc(O)c2)ccc1O TN5189
COc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(CC=C(C)C)[nH]c2c1 TN5190
COc1ccc(cc1)[C@@H]1CC(=O)c2c(OC)cc(O)cc2O1 TN5191
CC1(C)Oc2cc3OC4c5ccc(O)cc5OCC4(O)c3cc2C=C1 TN5192
[H][C@]12[C@@H](CC)[C@@H]3CCN1CC[C@@]21C(Nc2ccccc12)=C3C(=O)OC TN5193
COc1ccc(C[C@@H]2C(COC2=O)[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC TN5194
COc1ccc2C[C@@H](O)[C@H](Oc2c1C)c1ccc(O)cc1 TN5195
C[C@@H](CC(=O)C=C(C)C)c1ccc(C)c(O)c1 TN5196
CC(C)=CCc1c(O)cc(O)c2c1oc1c(O)c(O)ccc1c2=O TN5197
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O TN5198
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O TN5199
COC(=O)C1=CO[C@H](C)[C@H]2CN3CC[C@]4([C@@H]3C[C@H]12)C(=O)Nc1ccccc41 TN5200
Cc1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 TN5202
CC(O)C(O)C1OC11C(C)=CC(=O)CC1(C)C TN5203
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C=O TN5207
CC1=CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]1(O)CO TN5208
CO[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 TN5209
CC(O)C\C=C\C=C\C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 TN5210
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)\C=C\C=C\C=O)C=C1COC(=O)[C@@]21O TN5211
COC(=O)C1=C/CCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@H]\1OC(C)=O TN5212
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 TN5213
CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12 TN5218
COC(=O)[C@]1(CO)[C@H]2CC[N+]([O-])(C\C2=C\C)Cc2c1[nH]c1ccccc21 TN5219
COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]22CCN3CC=CC(C1)([C@@H](C)O)[C@@H]23 TN5220
COc1ccc2c(O[C@H]3c4ccc(OC)cc4OC[C@]23O)c1 TN5221
O[C@H]1CCN2Cc3cc(O)ccc3N=C12 TN5222
O[C@H]1CCn2c1nc1ccc(O)cc1c2=O TN5223
C\C=C1\CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@H]3C=O TN5224
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O TN5225
CO[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC(C)=O)=C1[C@H](C[C@H]2C)OC(=O)C(\C)=C\C TN5226
COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1 TN5228
CC(C)=CC[C@@]12[C@H]3O[C@@]3(CO)C[C@@H]1OC2=O TN5229
CC(C)=CC[C@@]12C[C@@H](C[C@@H]1O)COC2=O TN5230
CC(=O)C[C@H]1[C@H](\C=C\OC(=O)C=C(C)C)[C@@](C)(CCC=C(C)C)CC=C(CO)C1=O TN5231
CC(C)[C@H]1CC[C@]2(C)[C@H]3CN(CCO)C[C@H](C13)C2=C TN5232
CC1(C)CCC[C@@]2(C)[C@H]1CCC(=C)[C@@H]2\C=C\C1=CCOC1=O TN5233
CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1ccccc41)[C@](O)([C@@H]2OC(C)=O)C(=O)OC TN5234
C\C=C1\CN2[C@H]3C[C@]45[C@H](OC(C)=O)C3[C@H]1C[C@H]2C4=Nc1ccccc51 TN5235
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O TN5236
O[C@H]1C[C@@]23OC(=O)C=C2C[C@@H]1N1CCCC[C@@H]31 TN5237
COc1cc(ccc1O)[C@@H]1[C@@H](CO)C(C=O)=Cc2ccc(O)c(OC)c12 TN5240
C[C@H]1CCC(=O)c2cc3occ(C=O)c3c(C)c12 TN5241
COc1cc(ccc1O)[C@@H]1[C@@H](CO)C(C=O)=Cc2cc(O)c(O)cc12 TN5242
C[C@@H]1C[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 TN5243
CC1(C)CCC[C@]2(C)[C@@H](C[C@H](O)C3=CCOC3=O)C(=C)CC[C@@H]12 TN5245
CC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](C2)([C@H]13)C(=O)OC TN5246
CO[C@H]1C[C@H]2[C@@H](C=C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O1 TN5247
CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2[C@H]1O TN5248
C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C TN5250
C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)C4=C(O)C(=O)[C@@]3(C)[C@]11O[C@@H]1C[C@H]2C1=CCNC1=O TN5251
C\C=C(/C)C(=O)O[C@@H]1[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(C)C)C2[C@](C)(O)CC[C@@H](O)[C@]12C TN5252
CC(C)C(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)C2=C)[C@@H](OC(C)=O)[C@@]2(C)[C@@H](CC[C@@](C)(O)C12)OC(C)=O TN5253
CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O TN5254
Cc1c(O)c(O)cc2c1C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O TN5255
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O TN5256
C[C@H](C1CC(C)=C(C)C(=O)O1)[C@@]1(O)CC[C@H]2C3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C TN5259
COc1cc2cc(oc2cc1O)-c1cc(O)cc(O)c1 TN5262
COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12 TN5264
CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@](C)(C=C)C=C3CC[C@H]12 TN5271
C[C@@H]1CC[C@]2(O)C1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C=O TN5272
CC1(C)CCC[C@]2(C)[C@@H](\C=C\c3ccoc3)C(=C)C[C@@H](O)[C@@H]12 TN5274
Cc1coc2C\C(C)=C\CC[C@]3(C)O[C@H]3C(=O)c12 TN5278
CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@@]12C TN5279
O[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@@]1(O)COC(=O)c1ccccc1 TN5280
N[C@@H](CS)C(O)=O.[H]Cl.[H]O[H] TN5283
[Na+].CCCCCCCCCC(=O)CC(O)S([O-])(=O)=O TN5284
C\C=C1\CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3 TN5299
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1 TN5303
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)c2ccc(=O)oc2)[C@H](O)[C@H](O)[C@H]1O TN5304
CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)C1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C TN5305
COCO[C@@H]1C[C@H](O[C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](C)C=C(OC)C2=O)O[C@H](C)[C@H]1O TN5308
CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](OC(=O)c5ccc(O)cc5)[C@]5(C)[C@](O)(CC[C@]5(O)[C@]4(O)CC=C3C2)C(C)=O)O[C@H](C)[C@H]1O TN5309
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C TN5310
COC1=C[C@@H](C)OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@]5(O)[C@H](C)O)[C@@H]4CC=C3C2)C1=O TN5312
C[C@H]1C2[C@H](C[C@H]3[C@@H]4CC[C@@]5(O)[C@@H](O)[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1 TN5313
CO[C@@H]1[C@H]2O[C@@]22C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(CCC3=C12)[C@H](C)\C=C\[C@H](C)C(C)C TN5314
CC12CCC3OC3(C)CC3OC(=O)C(=C)C3CC1O2 TN5327
CC(C)(O)[C@H]1CCC(=C)[C@H]2CC[C@](C)(O)C[C@H]12 TN5352
CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)[C@@H](O)CC(=C)[C@@H]2C1 TN5377
C[C@H]1CC[C@H](O)C2=CC(=O)[C@@H]3[C@H](C3(C)C)[C@]12C TN5378
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12 TN5380
CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C2C(=O)OC1 TN5381
CC1(C)CCC[C@]2(C)[C@H](O)C(C=O)=CC[C@@H]12 TN5382
CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C(=O)O[C@@H](O)[C@]21O TN5383
CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12 TN5384
C[C@@H](O)\C=C\C1=C(C)[C@@H](O)[C@@H](O)CC1(C)C TN5385
C[C@@H](CC[C@H]1C(C)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O TN5386
CC(=O)C=C=C1C(C)(C)CC(O)C[C@@]1(C)O TN5387
C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@H]1C(C)=CC(=O)CC1(C)C TN5388
C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@H]1C(CO)=CC(=O)CC1(C)C TN5390
C[C@@H](O)\C=C\[C@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)CC1(C)C TN5391
COc1cc(CCCOC(=O)C=Cc2ccc(O)cc2)cc2C(COC(=O)C=Cc3ccc(O)cc3)C(Oc12)c1ccc(O)c(OC)c1 TN5423
Oc1ccc(\C=C/[C@H](C=C)c2ccc(O)cc2)cc1 TN5424
COc1cc(cc(OC)c1O)[C@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O)c(OC)c1 TN5425
COc1ccc(\C=C/[C@@H](C=C)c2ccc(O)cc2)cc1O TN5426
COc1cc(C[C@@H]2[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)COC2=O)ccc1O TN5427
COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O TN5428
COc1cc(cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN5430
COc1cc(CCCO)cc2[C@@H](CO)[C@@H](Oc12)c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(OC)c1 TN5431
COc1cc(CCCO)cc2[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](Oc12)c1ccc(O)c(OC)c1 TN5432
CO[C@@]12C=C(CC=C)C(=O)C=C1O[C@@H]([C@H]2C)c1ccc2OCOc2c1 TN5433
COc1ccc(cc1OC)[C@H]1O[C@@H]([C@@H](C)[C@@H]1C)c1ccc(OC)c(OC)c1 TN5434
COc1cc(OC)c(cc1OC)[C@@H]1[C@H](C)[C@@H](C)[C@H]1c1cc(OC)c(OC)cc1OC TN5435
CC(Oc(cc1)ccc1C(Oc(cc(cc1O)OC(C)=O)c1C1=O)=C1OC(C)=O)=O TN5443
COc1ccc([C@@H]2COc3cc(OC)c(O)cc3C2)c(O)c1 TN5455
COc1ccc(cc1)-c1oc2c3C=CC(C)(C)Oc3cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O TN5460
COC(C)(C)c1cc2c(o1)c(CC=C(C)C)c(O)c1c2occ(-c2ccc(O)c(O)c2)c1=O TN5464
CC(C)=CCc1c(O)cc2occ(-c3ccc(O)c(CCO)c3)c(=O)c2c1O TN5465
COC(C)(C)c1cc2c(O)c3c(occ(-c4ccc(O)c(O)c4)c3=O)c(CC=C(C)C)c2o1 TN5467
CC(C)=CCc1cc(cc(CC=C(C)C)c1O)-c1cc(=O)c2c(O)cc(O)c(CC=C(C)C)c2o1 TN5468
CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)c(CCO)c(O)c2c1=O TN5469
COc1cc2O[C@@H](CCc2cc1O)c1ccc(O)cc1 TN5482
O[C@@H]1Cc2c(O)cc3OC(=O)C[C@@H](c4ccc(O)c(O)c4)c3c2O[C@@H]1c1ccc(O)c(O)c1 TN5484
CC(C)=CCc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 TN5485
CCC(C)C(=O)O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccccc1 TN5486
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1OC(=O)\C=C\c1ccc(O)cc1 TN5487
Oc1cc(O)c2[C@@H]([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1)c1c(O)cc2O[C@@H]([C@@H](Cc2c1O)OC(=O)c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1 TN5489
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)C3CC(=O)c4c(O)cc(O)cc4O3)c2o1 TN5490
O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 TN5492
O[C@@H]1Cc2c(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1 TN5493
Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(Oc2cc(ccc2O)-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 TN5494
Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c1ccc(O)c(c1)-c1cc(ccc1O)[C@H]1CC(=O)c2c(O)cc(O)cc2O1 TN5495
Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(c1)-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 TN5496
Oc1cc(O)c2[C@@H]([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1)c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1 TN5497
Oc1ccc(cc1)[C@@H]1CC(=O)c2cc(O)c(O)cc2O1 TN5498
Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1 TN5499
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(c1)-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 TN5500
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(Oc2cc(ccc2O)-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 TN5501
COc1cc(CCc2cccc(O)c2)c2C[C@H](O)[C@H](Oc2c1)c1ccc(O)c(OC)c1 TN5502
COc(cc1)ccc1C(Oc(c1c2O)cc(O[C@@H]([C@@H]([C@H]3O)O)O[C@H](CO)[C@H]3O)c2OC)=CC1=O TN5503
COc1c(O)c(O)c2c(oc(cc2=O)-c2ccccc2)c1OC TN5504
Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 TN5505
COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1 TN5506
COc1ccc(C2COc3cc(O)ccc3C2=O)c(OC)c1O TN5507
COc1cc(ccc1O)-c1cc(=O)c2c(OC)cc(O)cc2o1 TN5508
COc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(=O)c4c(O)cc(O)cc4o3)c(OC)cc2o1 TN5510
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1 TN5511
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](OC(=O)\C=C/c2ccc(O)cc2)[C@H]1O TN5512
OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@H]1O TN5513
COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN5514
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1O TN5516
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@H]1O TN5517
O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)O[C@@H]([C@H]1O)C(O)=O TN5522
Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 TN5530
OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN5545
COc1cc2oc(cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1ccc(O)c(O)c1 TN5546
COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 TN5547
OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@H](OC(=O)c4cc(O)c(O)c(O)c4)OC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O TN5554
OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)OC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O TN5555
COC(=O)C[C@H]1\C(=C\COC(=O)\C=C\c2ccccc2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(O)=O TN5557
COC(=O)C[C@H]1\C(=C\COC(=O)\C=C\c2ccc(O)cc2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(O)=O TN5558
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\CO)[C@@H]1CC(=O)OC\C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)OCCc1ccc(O)c(O)c1)C(=O)OC TN5559
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)[C@@H](O)C[C@H]12 TN5560
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\CO)[C@@H]1CC(=O)OC\C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)OCCc1ccc(O)cc1)C(=O)OC TN5561
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\CO)[C@@H]1CC(=O)OCCc1ccc(O)cc1 TN5562
OC\C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)OCCc1ccc(O)c(O)c1)C(=O)OCCc1ccc(O)c(O)c1 TN5563
COC(=O)C[C@H]1\C(=C/CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC TN5564
COC(=O)C[C@H]1\C(=C\COC(=O)C[C@H]2\C(=C/C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OC)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC TN5566
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\CO)[C@@H]1CC(O)=O TN5567
CCC\C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](\C=C(C)\C(=O)[C@]3(C[C@@H](C)[C@H](O)[C@@H]3\C=C1/C)OC(C)=O)C2(C)C TN5593
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]2(C)[C@@H]3CC=C4[C@@H](COC4=O)C=C3CC[C@H]12 TN5612
C[C@@]12CC[C@@H](OC(=O)\C=C\c3ccccc3)[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@]21O)C(CO)=C3)C(O)=O TN5613
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@](O)(CO)[C@@](O)(C1)CC[C@@H]23)C(O)=O TN5615
COC(=O)CC1c2c(O)c(O)c(O)cc2C(=O)c2c(O)c(O)c(O)c(O)c12 TN5630
O=C\1C=2C(O/C1=C\C3=CC(O)=C(O)C=C3)=CC(O)=CC2O TN5634
CCCCCCCC\C=C/CCCCCCCc1cc(O)cc(O)c1 TN5637
OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN5638
COc1cc(O)ccc1CCCc1ccc(O)cc1 TN5655
COc1cc(O)c2c(oc(Oc3ccc(O)cc3)cc2=O)c1C[C@@H](O)C(C)(C)O TN5662
CC(C)=CCc1cc(Oc2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)ccc1O TN5663
CC(C)=CCc1cc(Oc2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(CC=C(C)C)c1O TN5664
CC(C)=CCc1c(O)cc(O)c2c1oc(Oc1ccc(O)cc1)cc2=O TN5667
CC(=C)C(O)Cc1c(O)cc(O)c2c1oc(Oc1ccc(O)cc1)cc2=O TN5668
CC1CC(=O)c2c(C)cccc2O1 TN5677
Oc1ccc2CC\C=C/C(=O)CCc3ccc(Oc1c2)cc3 TN5687
Oc1cc2COC(=O)c2c(O)c1 TN5688
OC(=O)c1ccccc1C(=O)c1ccc(O)cc1O TN5689
O[C@H]1Cc2ccc(O)c(c2)-c2cc(C[C@@H](O)C(=O)C[C@H]1O)ccc2O TN5690
O[C@H]1CCc2ccc(O)c(c2)-c2cc(CCC(=O)C1)ccc2O TN5691
COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1c1cc(O)cc(O)c1[C@H]2c1cc(OC)c(O)c(OC)c1 TN5693
Cc1cc2ccc3c(C)c(O)ccc3c2cc1C=C TN5694
Cc1ccc2CCc3c(C)c(O)ccc3-c2c1C=C TN5695
COC(C)c1cc(O)c(C)c2CCc3c(C)c(O)ccc3-c12 TN5696
CC(C)c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1 TN5698
COc1cc(OC)c(cc1O)[C@H](C=C)c1ccccc1 TN5700
Cc1c(O)ccc-2c1CCc1c(C=C)c(C)c(O)cc-21 TN5701
Cc1cc2CCc3c(C)c(O)ccc3-c2cc1C=C TN5702
O[C@@H]1CO[C@@H](O[C@@H](CCc2ccc(O)cc2)CC(=O)CCc2ccc(O)cc2)[C@H](O)[C@H]1O TN5703
COC(=O)C(O)c1cc(CC=C(C)C)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CC=C(C)C)c1 TN5704
COc1cc(O)c-2c(CCc3c(O)c(OC)ccc-23)c1 TN5706
CC(O)CCc1cccc(O)c1 TN5707
COc1cc(O)cc(\C=C\c2ccc(O)c(OC)c2OC)c1 TN5708
COC(C)c1cc(O)cc2CCc3c(C)c(O)ccc3-c12 TN5709
CCC[C@H](CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1)OC(C)=O TN5710
Cc1c(O)cc2ccc3c(C)c(O)cc4ccc1c2c34 TN5711
COC(C)c1cc(O)cc2ccc3c(C)c(O)ccc3c12 TN5712
CC1=C(C=C)C2(O)CCc3c(C)c(O)ccc3C2=CC1=O TN5713
COc1cc(O)cc(\C=C\c2cccc(O)c2OC)c1 TN5714
O[C@@H]1CO[C@@H](O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)CCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O TN5715
CCC[C@@H](O)CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1 TN5716
CC1c2cc(O)c(C)c3CCc4c(c1cc(O)c4C)-c23 TN5718
Cc1c(O)cc2c(ccc3c(C)c(O)ccc23)c1C=C TN5719
Oc1ccc2[C@H]3Oc4cc5OCOc5cc4[C@H]3COc2c1 TN5720
COc1cc(O)cc(\C=C\c2cccc(O)c2O)c1 TN5721
Oc1cccc(CCc2cc(O)cc(O)c2)c1 TN5723
Oc1cccc(\C=C\c2cc(O)cc(O)c2)c1 TN5724
COc1cc(O)c(cc1O)C(=O)c1ccccc1O TN5726
OCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 TN5727
Cc1cc2ccc3c(C)c(O)ccc3c2cc1[C@@H]1CC=Cc2c1c(O)c(C)c1CCc3c(C)c(O)ccc3-c21 TN5728
O[C@H]1Cc2ccc(O)c(c2)-c2cc(C[C@@H](O)[C@H](O)C(O)[C@H]1O)ccc2O TN5729
OC1Cc2ccc(O)c(c2)-c2cc(CC(O)C(=O)C=C1)ccc2O TN5730
COc1cc(O)c-2c(CCc3cc(Oc4c5CCc6cc(O)ccc6-c5c(O)cc4OC)ccc-23)c1 TN5731
COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1-c1c2CCc3cc(O)ccc3-c2c(O)cc1OC TN5733
COC1=CC(=O)[C@]2(OC)Oc3ccc(OC)cc3O[C@@]2(C1)OC TN5734
Cc1c(O)ccc-2c1CCc1c(C)c(O)cc(C=C)c-21 TN5735
COc1cc(O)c-2c(CCc3cc(O)c(cc-23)-c2c(O)c-3c(CCc4cc(O)ccc-34)cc2OC)c1 TN5737
COc1cc(CCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN5738
COc1cc(O)c2c(ccc3cc(O)c(cc23)-c2c(CCc3cccc(O)c3)cc(O)cc2OC)c1 TN5739
Cc1c(O)cc2CCc3c(C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3-c2c1C=C TN5743
CCOC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c12 TN5744
COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)\C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O TN5745
COc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN5746
COc1cc(O)c(C(C)=O)c(O)c1C TN5747
Cc1c(O)ccc-2c1CCc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c(C=C)c-21 TN5748
OC(CCc1ccc(O)cc1)CC(=O)\C=C\c1ccc(O)cc1 TN5749
C[C@@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)c2cc(O)cc(O)c2)[C@H](O)[C@H](O)[C@H]1O TN5750
CC(C)=CC[C@H](C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)c1oc3cc(O)c(O)cc3c(=O)c1C2=O)C(C)=C TN5751
COc1cc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O TN5752
OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O TN5753
CCCCCCCCCCCC(=O)C=C(O)\C=C\c1ccc(O)c(OC)c1 TN5754
CC(C)=CCC\C(C)=C\C[C@@H]1C[C@@]2(CC=C(C)C)C(O)=C(C(=O)c3ccc(O)c(O)c3)C(=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C TN5755
OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN5757
COc1cc(CC\C=C\C(=O)CCc2ccc(O)c(OC)c2)ccc1O TN5770
COC(=O)c1c(O)cc(O)cc1O TN5779
NC(=O)C1=C(O)C(=O)c2ccccc2C1=O TN5790
COc1cc(OC)c2C(=O)[C@H]3CO[C@](C)(C[C@@H]3C(=O)c2c1)OC TN5791
COc1cc(OC)c2c(c1)C(=O)C(=O)C1=C(C)CCO[C@@]21OC TN5792
COc1cc(OC)c2C(=O)C3=C(CC(C)(O)OC3)C(=O)c2c1 TN5793
COc1cc(OC)c2C(=O)C3=C(C=C(C)OC3)C(=O)c2c1 TN5794
CC1=CC(=O)c2ccc(C)cc2C1=O TN5795
CC1=C(O)C(=O)c2ccc(C)cc2C1=O TN5796
COC(=O)CC1(O)C=CC(=O)C=C1 TN5797
COC1=CC(=O)C(=CC1=O)[C@H](C=C)c1ccccc1 TN5798
COC1=CC(=O)c2cc(-c3ccccc3)c3cc(O)c(OC)cc3c2C1=O TN5799
COC1=CC(=O)C(=CC1=O)[C@@H](C=C)c1ccccc1 TN5800
OCC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O TN5801
OCCCCCCCCCCCCCCCCCCO TN5802
CCCC#C\C=C1/OC(=O)C=C1 TN5803
CCCCCCCC(O)C=CC#CC#CC(O)C=C TN5804
OC(CCCCCC=C)C(O)CC#CC#C TN5805
CCO[C@@H]1OC[C@](O)(CO)[C@H]1O TN5806
CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O TN5807
COC(=O)[C@@]1(O)C[C@@H](O)[C@H](OC(=O)\C=C\c2ccc(O)c(OC)c2)[C@H](O)C1 TN5808
CCC\C=C1/OC(=O)C2=C1CC[C@@H]1[C@H](CCC)[C@]3(OC(=O)C4=C3CCC=C4)[C@H]21 TN5810
C[C@@H](O)CC#CC#Cc1ccccc1 TN5811
CCC\C=C1/OC(=O)c2ccc(O)cc12 TN5812
O[C@H]1O[C@H](COC(=O)CC[N+]([O-])=O)[C@@H](OC(=O)CC[N+]([O-])=O)[C@H](OC(=O)CC[N+]([O-])=O)[C@H]1OC(=O)CC[N+]([O-])=O TN5813
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC TN5814
O[C@H]1O[C@H](COC(=O)CC[N+]([O-])=O)[C@@H](O)[C@H](OC(=O)CC[N+]([O-])=O)[C@H]1OC(=O)CC[N+]([O-])=O TN5815
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO TN5816
CCC(O)\C=C1/OC(=O)c2ccccc12 TN5818
CCCCO[C@]1(CO)OC[C@@H](O)[C@@H](O)[C@@H]1O TN5822
CCC(O)C(O)C\C=C/C\C=C/CCCCCCCC(O)=O TN5823
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC TN5824
CC[C@H](C)C(=O)O[C@]1(C)C(=O)C=C(OC)[C@@](C)(O)C1=O TN5825
O[C@H](CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@@H](O)C=O TN5826
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CO TN5828
CCO[C@H]1CC(=O)C[C@@H]2OCC[C@@]12O TN5829
COC1(CCC(O)(CCO)CC1)OC TN5830
CCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 TN5831
CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CC\C=C(/C)CCCCCCCCC TN5832
O[C@H](COC(=O)c1ccc(O)cc1)[C@@H](O)[C@H](O)[C@@H](O)C=O TN5833
CC(C)C[C@@](O)([C@H](O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 TN5834
CCCCC\C=C\C=C\C(=O)CCCCCCCC(O)=O TN5835
CC(C)(O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C=C TN5836
C\C(COC(=O)c1ccc(O)cc1)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN5837
COc1cc(\C=C\C(=O)OC[C@H]2O[C@@](CO)(O[C@@H]3O[C@H](COC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)cc(OC)c1O TN5838
CCCCCC(O)\C=C\C=C/CCCCCCCC(=O)OCC TN5839
OC(=O)C[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O TN5840
CCOC(=O)CCCCCCC\C=C\C=C/C(O)C\C=C/CC TN5841
CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O TN5842
Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O TN5843
CC(C)=CC(=O)c1occc1C TN5853
CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC(CO)C(=C)CCCC(C)CCCC(C)CCCC(C)C TN5854
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1ccccc1 TN5855
COc1cc(ccc1O)C(=O)OC[C@H]1O[C@@H](O[C@]23C[C@@H]4[C@@]2(COC(=O)c2ccccc2)[C@H]2O[C@]4(O)C[C@]3(C)O2)[C@H](O)[C@@H](O)[C@@H]1O TN5856
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(CO)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O TN5857
CC(C)C[C@@H]1C2CC(C=CC2(C)Oc2c(C=O)c(O)c(C=O)c(O)c12)C(C)C TN5860
CC(C)[C@@H]1CC(=O)C(C)=C[C@@H]1O TN5861
CC(C)C(=O)OCC(O)(COC(=O)C(C)C)c1ccc(C)cc1O TN5862
CC(C)C(=O)Oc1cc(C)ccc1C(C)C TN5864
CC(C)C(=O)Oc1cc(C)ccc1C(C)=C TN5865
CCC(C)C(=O)Oc1cc(C)ccc1C(C)C TN5867
Cc1ccc(c(O)c1)C(C)(C)O TN5868
CC(=C)[C@@H]1CCC(C=O)=C[C@H]1O TN5869
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O TN5887
CC(C)=CCc(c(OC)cc(O1)c2C=CC1=O)c2OC TN5888
CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1 TN5891
CC([C@H](Cc(c(OC)cc(O1)c2C=CC1=O)c2OC)O)=C TN5894
COC(=O)c1c(O)cc(Cl)c2oc3cc(C)cc(O)c3c(=O)c12 TN5903
COc1cc2c(oc3ccccc3c2=O)c(O)c1OC TN5905
COc1cc2oc3ccccc3c(=O)c2cc1OC TN5906
Oc1ccc2oc3ccc(O)cc3c(=O)c2c1 TN5909
CC(C)(C=C)c1c2OC(C)(C)C=Cc2c(O)c2c1oc1c(O)c(O)ccc1c2=O TN5912
COc1cc(O)c2c(c1)oc1ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(O)c1c2=O TN5919
COc(ccc(/C=C/CO)c1)c1OC TN5922
OCCC(=O)c1ccc(O)cc1 TN5924
OCC(O)COC(=O)\C=C\c1ccc(O)cc1 TN5925
OC[C@H]1O[C@@H](OCC=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O TN5927
COc1cc(OC)c(OC)cc1CC=C TN5928
C[C@@H]1CC(O[C@@H]2C[C@@]3(C)C(C[C@H](O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]34C)=C12)[C@H]1OC1(C)C TN5967
CO[C@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3[C@@](C)(CO)[C@@H](CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O TN5968
CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3OC(=O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12 TN5969
CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 TN5970
C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(C2)=CC(=O)[C@H]2[C@@](C)(COC(=O)\C=C\c3ccc(O)cc3)[C@H](O)[C@H](O)C[C@]12C TN5971
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C TN5972
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O TN5973
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C TN5974
CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@]6(O)CC[C@]45CO6)[C@]3(C)CC[C@@]12C(O)=O TN5975
COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O TN5976
CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@@H]12 TN5977
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3[C@@H](O)C=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C TN5978
COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O TN5980
CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]12 TN5981
COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O TN5982
COC(=O)C(C)CC(=O)\C=C(/C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O TN5983
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O TN5984
COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O TN5986
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C TN5987
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)C1[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O TN5988
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)C1[C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O TN5989
CC(C)(O)\C=C\C[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C TN5990
CC(C)C(=C)CC[C@H](C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](O)C4(C)C)C(O)=O TN5991
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O TN5992
CC(C)(O)\C=C\C[C@](C)(O)C1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C TN5993
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O TN5994
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]3(C)CCC3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O TN5996
COC1=CC(=O)C2([C@@H](Cl)C[C@]34N(C)CCC23CC(=O)C(OC)=C4OC)[C@@H]1O TN6073
CCN1C[C@]2(C)C=C[C@H](O)C34[C@@H]5C[C@H]6[C@H](O)C5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](O)C23)[C@@H]14 TN6077
CCN1C[C@]2(COC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)C34[C@H]5C[C@@H]6[C@H](O)C5[C@](O)(C[C@@H]6OC)C(O)([C@@H](OC)[C@H]23)C14 TN6078
CN1C[C@]2(C)CCC[C@]34C1[C@H](C[C@H]23)[C@@]12CC[C@@H](CC41)[C@@](O)(CO)[C@H]2O TN6079
COc1cc(C=O)cc2c1[nH]c1ccccc21 TN6080
COC1=CC23CCN(C)C(Cc4cc(OC)c(OC)cc24)C3=C(OC)C1=O TN6082
COc1ccc2c(NC(=O)[C@@]22C[C@@H]3N([C@H]2C=C(C)C)C(=O)[C@@H]2CCCN2C3=O)c1 TN6083
COc1ccc2c(NC(=O)[C@@]22C=C3N([C@H]2C=C(C)C)C(=O)[C@@H]2CCCN2C3=O)c1 TN6085
COc1cc-2c(cc1O)C(=O)c1nccc3cc4OCOc4c-2c13 TN6086
COc1c2OCOc2c2-c3cc4OCOc4cc3C(=O)c3nccc1c23 TN6087
COC(=O)C1=CN2CCc3c([nH]c4cccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c34)[C@@H]2CC1[C@H](CO)C=C TN6090
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(O)c-2c34)cc1O TN6091
OC[C@@H](O)[C@@H](O)CC(=O)c1nccc2c1[nH]c1ccccc21 TN6093
OCc1ccc(o1)-c1nc(cc2c3ccccc3[nH]c12)C(O)=O TN6094
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2[C@@H]3CN4CCc5c([nH]c6ccccc56)[C@]4(C[C@H]12)O3 TN6095
Cc1cc2c3ccccc3[nH]c2c2C=CC(C)(C)Oc12 TN6097
COc1cc2CC[n+]3cc4cc(OC)c(OC)cc4cc3-c2cc1O TN6098
CC(C)=CCC\C(C)=C\Cc1c(O)c(C)cc2c1[nH]c1ccccc21 TN6099
O=C(NCCc1ccccc1)\C=C\c1ccccc1 TN6100
COc1cc2cc[n+](C)c3C(=O)c4cc5OCOc5cc4-c(c1O)c23 TN6101
OC(=O)c1ccc(O)c(c1)N1CCCC1=O TN6102
COc1cc2CCN3Cc4cc(OC)c(OC)c(Oc5cc6CC7N(C)CCc8c(OC)c(OC)c(OC)c(-c6cc5OC)c78)c4C[C@@H]3c2cc1OC TN6103
COc1cc(C[C@@H]2N(C)CCc3c2cc(OC)c(OC)c3OC)c(Oc2cc3C[C@@H]4N(C)CCc5c(OC)c(OC)c(OC)c(-c3cc2OC)c45)cc1OC TN6104
Oc1cc2CCN3C(CCC3=O)c2cc1O TN6108
CC(C)CNC(=O)\C=C\CCc1ccc2OCOc2c1 TN6110
OCC(=O)c1c[nH]c2ccccc12 TN6112
C[C@@H]([C@@H]([C@H]([C@H]1O)O)O)O[C@H]1O[C@@H]([C@@H](c(cc1)ccc1O)Oc1c2c(O)cc(O)c1)C2=O TN6162
CC(C)CC(=O)c1c(O)cc(O)cc1O TN6164
COc1c(CC=C(C)C)c(O)c2c(c1CC=C(C)C)n(C)c1c(O)cccc1c2=O TN6172
C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O TN6193
COc1cc(cc2OCOc12)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC TN6195
COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@]3(COC(=O)\C=C\c4ccc(O)cc4)O[C@H](COC(=O)\C=C\c4ccc(O)cc4)[C@@H](O)[C@@H]3OC(=O)\C=C\c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O TN6220
C[C@H](CC[C@@]1(O)C(C)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN6251
CC1=C[C@H]2OC(=O)C(=C)[C@@H]2CC\C(=C\CC1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O TN6269
O[C@H]1C[C@@H]2OC(=O)C=C2C=C1 TN6280
COc1cc2CCNC3CC4(C=CC(=O)C=C4)c(c23)c1OC TN6283
COC[C@]12CN(C)C3[C@@H]4[C@H](OC)C1[C@@]3([C@H](C[C@H]2O)OC)[C@]1(O)C[C@@]2(O)[C@H](OC(=O)c3ccccc3)C1[C@]4(OC(C)=O)[C@@H](O)[C@@H]2OC TN6285
O[C@H](CCc1ccccc1)CC(CCc1ccccc1)=O TN6339
COC(CCc1ccc(O)c(OC)c1)CC(=O)CCc1ccccc1 TN6371
O[C@H](CCc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)cc1 TN6383
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O TN6390
COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c1ccc(O)cc1 TN6391
CC(C)C(=O)[C@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(C)=O TN6394
CO\C=C\C(=O)OC TN6402
CC(O)[C@H](C)[C@H](N)C(O)=O TN6405
CC1C(=O)N2CCCC2C(=O)N1 TN6431
OC[C@H]1O[C@@H](Oc2c3ccoc3cc3oc(=O)ccc23)[C@H](O)[C@@H](O)[C@@H]1O TN6432
[H][C@@]12C[C@](C)(CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O[C@@H]4OC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@](C)(CO)C3CC[C@@]12C)C(O)=O)C(=O)OC TN6442
CC(C)CC1NC(=O)C(CC2=CC=C(O)C=C2)NC1=O TN6444
O=C1CNC(=O)[C@@H]2CCCN12 TN6445
Oc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1 TN6457
O=C1CC(C2=CC=C(O)C=C2)OC3=CC(O)=C([C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)C(O)=C13 TN6464
CN1[C@@H]2C[C@@H]([C@H]1CC(=O)C2)O TN6468
[H][C@@]12C(c3ccc(O)cc3)[C@@]([H])(c3c1cc(O)cc3O)c1cc(O)cc(O)c1[C@@H]2c1ccc(O)cc1 TN6474
O[C@@H]1[C@@H](COC(=O)\C=C\c2ccccc2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O TN6483
OC[C@H]1O[C@@H](OC[C@H](O)COC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O TN6490
[H][C@@]12CC[C@@]3(C[C@]1(CC3=C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O TN6498
C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O TN6511
OC(=O)c1ccccc1C=O TN6514
COc1cc(ccc1O)C(C(C)C(C)CO)c1ccc(O)c(OC)c1 TN6518
COc1cc(ccc1O)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC(C)C(O)c2ccc(OC)c(OC)c2)c(OC)c1 TN6519
COC(=O)c1ccc(OC)c(O)c1 TN6520
Cl.CC1(C)CC(=O)CC(C)(C)N1 TN6521
COc1cc(CO)cc(OC)c1 TN6534
CC(C)(O)c1cc2c(ccc3ccc(=O)oc23)o1 TN6538
COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 TN6552
OC[C@H]1O[C@@H](Oc2cc(ccc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O TN6560
O[C@H]1CCN2C[C@@H]3C[C@@H](CN4[C@@H]3CCCC4=O)[C@@H]2C1 TN6574
C\C=C(\C)C(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2C1O TN6580
CC(=O)O[C@H]1[C@H](Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)C=C(C)C TN6582
[H][C@]12[C@@H](c3c(cc(O)cc3O)[C@@]1([H])[C@@H](c1c2cc(O)cc1O)c1ccc(O)cc1)c1ccc(O)cc1 TN6584
O=C(c1c2cccc1)N(C[C@@H]1OC1)C2=O TN6603
OC(=O)C=Cc1ccc(Cl)cc1 TN6604
OC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O TN6605
O=C1NCCc2c1[nH]c1ccccc21 TN6640
[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC[C@H](O)C(C)(C)O TN6645
COc1cc(\C=C\C(O)=O)cc2[C@@H](CO)[C@@H](Oc12)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 TN6653
CN(C)c1ccc(C=CC=O)cc1 TN6657
CC(=O)N\C(=C\c1ccccc1)C(O)=O TN6658
OC(=O)C=Cc1ccccc1Cl TN6659
CN(C)c1ccc(C=CC(O)=O)cc1 TN6661
CC(=O)Oc1ccc(C=CC(O)=O)cc1 TN6662
OC(=O)C=Cc1ccc(cc1)C(F)(F)F TN6663
Cl.O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12 TN6665
COc1ccc(C=CC(O)=O)c(OC)c1OC TN6666
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]12 TN6672
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](Cc1ccccc1)NC2=O TN6673
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O TN6690
CCCCCCCC(C)O TN6692
CCCCCCC(C)=O TN6693
O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 TN6694
CC12OC1CC1CC2C1(C)C TN6695
CCCCC1CCCC(=O)O1 TN6697
CCCCCC(CC1)OC1=O TN6700
CCCCCCCOC(C)=O TN6701
CCCC(=O)OCCC(C)C TN6702
COC(=O)C=Cc1ccccc1 TN6703
Cn1c(cc(=O)c2ccccc12)-c1ccc2OCOc2c1 TN6705
COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c1OC TN6706
COC(=O)c1ccc(O)cc1O TN6707
CCOC(=O)c1cc(O)cc(O)c1 TN6708
COc1cc2CCNC(=O)c2cc1OC TN6709
COC(=O)c1ccccc1OC(C)=O TN6710
COc1cc(O)c2c(O)c3c(cc(C)oc3=O)cc2c1 TN6711
[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C([C@H](O)[C@@]4([H])[C@@]3([H])CC(=O)[C@@]3([H])C[C@@H](O)CC[C@]43C)=C1C)O2 TN6712
CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H]([C@@H](OC(=O)c1ccccc1)[C@H]23)[C@]1(O)CC[C@H]2C[C@@H]4[C@@H]1C(=O)O2 TN6713
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO TN6714
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O TN6715
C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C TN6718
O=C1C([C@@H](OC(C)=O)C/C=C(C)\C)=CC(C2=C1C(O)=CC=C2O)=O TN6720
O=C(C1=CC=CC=C1)OC[C@]2([C@](C3)([H])O4)[C@@](C[C@@]2([H])C3=O)(O[C@@](O[C@@H]5CO)([H])[C@]([C@H]([C@@H]5O)O)([H])O6)[C@@]64C TN6723
O=C1C2=C(C=CC=C2OC)C(C3=CC(C)=CC(O)=C13)=O TN6728
C[C@@]1(C([C@]2(C)[C@H](OC(C)=O)C[C@@]3([H])C(C)(C)C(C=C[C@]3(C)[C@@]2([H])CC1)=O)=C4)[C@H](C5=COC=C5)C4=O TN6729
C[C@@]1([C@]2([C@@]3([H])O2)[C@]4(C)[C@H](OC(C)=O)C[C@@]5([H])C(C)(C)C(C=C[C@]5(C)[C@@]4([H])CC1)=O)[C@H](C6=COC=C6)C3=O TN6730
CNc(cccc1)c1C(OC)=O TN6731
C[C@H](C[C@H]1C(C)(C)[C@H]1C1C=C(C)[C@H]([C@@]2([C@H](C(C)=C3)OC(C)=O)O)OC(c4ccccc4)=O)C23C1=O TN6733
C[C@H](C[C@@H]([C@H]([C@@H]([C@]12C)OC(C)=O)C3=C)OC3=O)[C@@H]2C=CC1=O TN6735
CC(C)CCC[C@@H](C)[C@@H](CC1)[C@@](C)(CC2)[C@]1(C)C(CC1)=C2[C@@](C)(CC2)[C@@H]1C(C)(C)[C@H]2O TN6736
[H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@@H](C)[C@@]1([C@]34C)[H])C[C@@]3([H])[C@]5([H])CCC6=CC(CC[C@]6(C)[C@@]5([H])CC4=O)=O TN6737
O=C([C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@]4([H])CC[C@]5(CO6)[C@@H](C)[C@]6(O)[C@H](O)C[C@@]5([H])[C@]4(C)CC[C@@]3(C)[C@]2([H])C1)O TN6738
CN(C1OC)c2c(cc3OCOc3c3)c3ccc2-c(cc2)c1c(OC)c2OC TN6739
Cc(cc1Cc2cc(O)cc(O)c22)cc(O)c1C2=O TN6740
CC1(C)C(C(/C=C/C)=O)=C(C)CCC1 TN6742
CCCCCCCC(OCC)=O TN6743
CCCCCCCC(CC1)OC1=O TN6744
OCC([C@H]([C@@H]([C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)=O TN6745
CC(C)[C@@]1(O)CCC(C)=CC1 TN6746
O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1OC2=CC=CC=C2 TN6747
COc1cccc(C=O)c1O TN6748
NC(Cc(cc1I)cc(I)c1O)C(O)=O TN6749
CC(C)(C)C(C(C=C1)=O)=CC1=O TN6750
CCCCCCCCCCCCCCCCCCCCCCCCCCO TN6751
CS(C)(=O)=O TN6752
CCCCCCCCCCCCCCCCCCCO TN6754
COc1cnccn1 TN6755
CC(CC(O)=O)N TN6756
CCCCN=C=S TN6757
CCCSSCCC TN6758
CCCCCCCCCCCCCCC TN6759
CCCCCCCCCCCCCCCCCCCCO TN6760
CC(C)CC(OC(CC(C)CC1)C1C(C)C)=O TN6761
CC(C)(CCC1)[C@]1(C)c1ccc(C)cc1 TN6762
CO[C@@H](C[C@H](C([C@@H]1O)=CC#N)O[C@@H]([C@@H]([C@H]2O)O)O[C@H](CO)[C@H]2O)[C@@H]1OC TN6764
O=C1CC(C2=CC=C(O)C(O)=C2)OC3=C(O)C(O)=CC=C13 TN6769
Oc1cccc(O)c1C(CCCCCCCCc1ccccc1)=O TN6770
Oc1ccc(CCCCCCCCC(c(c(O)ccc2)c2O)=O)cc1 TN6771
Oc(ccc(CCCCCCCCC(c(c(O)ccc1)c1O)=O)c1)c1O TN6772
O=C(O)C(C)=CC1C2=C(C)CC(OC(C)=O)C2C(C)CC1 TN6773
Cc(cc1C(c2cc(O[C@@H]([C@@H]([C@H]3O)O)O[C@H](CO)[C@H]3O)cc(O)c22)=O)cc(O)c1C2=O TN6774
CC(N(C[C@H](C1)CN23)C[C@@H]1C3=CC=CC2=O)=O TN6775
O=C1[C@H](C)[C@@](CC[C@@H](C)[C@]2([H])CC[C@]3(C)[C@@]4([H])O3)([H])[C@]24O1 TN6777
CC(C)=CCC/C(/C)=C/CC/C(/C)=C/COc(cc1)cc(O2)c1C=CC2=O TN6778
COC(c1cc(O)c2[nH]c(cccc3)c3c2c1)=O TN6779
COc(c(O)c(c(OC(c1ccccc1)=C1)c2)C1=O)c2O[C@@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O TN6782
Cc1c(ccc2c3OCO2)c3c[n+](CC2)c1-c1c2cc2OCOc2c1.[Cl-] TN6783
CCOC([C@@H](Cc(cc1)cc(O)c1O)OC(/C=C/c(cc1)cc(O)c1O)=O)=O TN6784
O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1O[C@H]2[C@@]3([H])C([C@H](O)[C@@]4([H])[C@]3(CO)O4)CCO2 TN6785
CN(CC[C@]1([C@H](C2)O3)C=C[C@@H]2O)Cc(cc2)c1c3c2O TN6786
CNCCc(c1ccc(cccc2)c2c11)cc(OC)c1OC TN6787
COc(cc1O)cc(OC(c2ccccc2)=C2OC)c1C2=O TN6788
CC1(C)c2ccc(c(occ3C)c3c3c4oc(C)n3)c4c2CCC1 TN6789
CCCCCCCCCCCCCCCC(NCc(cc1)cc(OC)c1O)=O TN6791
CC(O[C@H]1C=C[C@@]2(CCN(C)Cc3ccc4OC)c3c4O[C@H]2C1)=O TN6792
CC(C)(C=C1)Oc(cc2)c1c(O)c2C(C)=O TN6793
CCCCCCCCCCCCCCCCCC(NCc1cc(OC)ccc1)=O TN6794
CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC34C)C12)C(O)=O TN6800
CCC(C(C)C)\C=C\[C@@H](C)C1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C TN6801
COC(CCc1ccccc1)CC(=O)CCc1ccccc1 TN6802
C\C(C)=C\Cc1cc(ccc1O)C1CC(=O)c2ccc(O)cc2O1 TN6803
O=C(CCCC\C=C\c1ccc2OCOc2c1)N1CCCCC1 TN6804
CC(C)C(=O)c1c(O)c2c(cc(=O)oc2c2C=CC(C)(C)Oc12)-c1ccccc1 TN6806
COc1ccc(CO)cc1O TN6810
CCCCO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O TN6811
CC(=C)[C@@H]1CCC(C=O)=CC1 TN6812
CCOC(=O)\C=C\C(O)=O TN6813
CCCCCCCCCCCCCCC(O)C(O)C(N)CO TN6814
C\C(C)=C\CC=C(C)C=C TN6815
CCOC(=O)C=Cc1ccc(OC)cc1 TN6816
CC(C)C1=C[C@@H]2[C@@H](CC[C@]2(C)O)[C@@](C)(O)CC1 TN6817
COc1cc(C)cc(OC)c1 TN6822
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC TN6823
COc1cc(C)cc(OC)c1OC TN6825
O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O TN6826
C[C@@H]([C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC[C@H](C)CN1C TN6827
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3CN2C1 TN6829
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O TN6830
CC(=O)CC\C=C(\C)C TN6832
C\C(C)=C\CC\C(C)=C\CCC(=C)C=C TN6835
CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C TN6836
C[C@@H]1C2[C@H](CC1=O)C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OCCc1ccc(O)cc1 TN6837
COC1=C(C)OC(C)C1=O TN6839
OC(=O)\C=C/c1ccc(O)cc1 TN6840
C[C@@H](CC\C=C(\C)C)[C@H]1CC=C(C)C=C1 TN6841
CCCCCCCCCCCCCCC=C TN6843
CC(CC\C=C(\C)C)c1ccc(C)cc1 TN6844
O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O TN6845
Cc1c(O)cc2occ(Cc3ccc4OCOc4c3)c(=O)c2c1O TN6846
C[C@H]1CCC2=C1C\C(CC[C@@H]2C)=C(/C)C TN6847
OC(=O)c1ccc2OCOc2c1 TN6848
COc1cc2C[C@@H]3NCCc4cc(OC)c(OC)c(-c2cc1OC)c34 TN6849
CC(=C)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 TN6850
CC(C)C(=O)COc1c2ccoc2cc2oc(=O)ccc12 TN6851
COc1cc(O)ccc1[C@@H]1CC(=O)c2c(OC)cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O1 TN6852
O[C@H]1CCC(=O)c2c(O)cccc12 TN6853
O=c1cccc2[C@@H]3CCCN4CCC[C@@H](Cn12)[C@@H]34 TN6855
CO[C@@H]1CCCN2C(CC[C@H]2[C@]11C[C@@H](C)C(=O)O1)[C@@H]1C[C@H](C)C(=O)O1 TN6857
CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1 TN6859
COc1cc(OC)c2ccc(=O)oc2c1C[C@@H](O)C(C)(C)O TN6860
Oc1cc2oc(=O)ccc2c(c1O)-c1c(O)c(O)cc2oc(=O)ccc12 TN6861
C[C@H]1CC\C=C(C)\CC(=O)\C(CC1=O)=C(/C)C TN6867
Oc1ccc(CC=C)cc1Oc1ccc(CC=C)cc1 TN6869
COC(=O)CC(O)(CC(=O)OC)C(=O)OC TN6870
COc1ccccc1\C=C\C(O)=O TN6874
CC(C)(C)c1cccc(c1)C(C)(C)C TN6875
COc1c(C)c(O)c(C=O)c2OCC(Cc3ccc4OCOc4c3)C(=O)c12 TN6876
CC(=O)OCCc1ccccc1 TN6877
Cc1cc(=O)c2c(O)c3CC(Oc3cc2o1)C(C)(O)CO TN6878
O=Cc1cccc2[nH]ccc12 TN6883
COc1cc(C)ccc1C(C)C TN6884
CCCCCCCC(=O)OC TN6890
CCCCCCO TN6891
CCCCCCCO TN6893
CCCCCCCCCCCC(=O)OC TN6895
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC TN6896
CCCCCCCCCCCC TN6897
CCCCCCCCCCC=O TN6898
CCCCCCCCCCCCCCCCC=C TN6899
CCCCCCCCCCCCCC(=O)OC TN6901
C\C(C)=C1\C[C@]2(O)[C@@H](CC[C@]2(C)O)C(C)=CC1=O TN6904
C1Oc2ccc(cc2O1)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc2OCOc2c1 TN6905
CCCCCCCCCCCCCC=C TN6906
CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C TN6908
CC(C)C(=C)C[C@@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C TN6909
CCCCCCCCCO TN6912
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3CN2C1 TN6913
COC(=O)C1=CO[C@@H]2OC[C@@H]3OC(=O)C[C@H]1C23 TN6916
CCCCCCCCC(=O)OC TN6918
CCCCCCCCCCCCC(=O)OC TN6919
CCCCCCCCCCCCCCCCC(=O)OC TN6920
COC(=O)CCCCCCCC(=O)OC TN6921
O[C@H]1CCCC[C@H]1O TN6922
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC TN6923
COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 TN6926
CCCCCCCCC\C=C\C=O TN6927
OC(=O)[C@@H]1CCN1 TN6928
Oc1ccc(cc1O)C1Oc2ccc(C=O)cc2O1 TN6929
COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 TN6930
CCCCC[C@H](O)CC(=O)CCc1ccc(OC)c(OC)c1 TN6932
CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC TN6934
CCc1ccc(O)c(OC)c1 TN6935
CCC(N)C(O)=O TN6936
CC(C)C(O)(CC(O)=O)C(O)=O TN6937
Oc1ccccc1C=CC=O TN6938
Cc1cc(=O)c2c(O)c3CC(Oc3cc2o1)C(C)(C)O TN6943
CC(O)C(O)=O TN6945
CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C TN6946
CCCCC[C@@H](O)C[C@@H](O)CCc1ccc(O)c(OC)c1 TN6949
CC(C)c1cccc(C)c1 TN6950
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC TN6951
CCCCCCCCCCCCCCCC TN6952
CCCCCCCCCCCCCCCCCCCCCCCC(O)=O TN6953
OCC[C@H]1[C@H](O)CC(CO)=C1CO TN6954
CC1=CC(=O)OC1=O TN6957
CCC(O)C=C TN6958
CCCCCCCCCCCCCC TN6959
CCCCCCCCCCCCCCCO TN6960
CCCCCCCCCCCCCCCCCCCCC TN6961
CCCCCCCCCCCCCCCCCCCCCC TN6962
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC TN6963
CCCCCCCCCCCCCCCCCCCCCCC TN6964
COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1OC TN6967
CC1(C)Oc2cc3oc(=O)c4c5ccc(O)cc5oc4c3cc2C=C1 TN6968
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO TN6969
CCCCCCCCCCCCCCC(=O)OC TN6972
C\C1=C/CC\C(C=O)=C/[C@@H]2[C@H](CC1)C2(C)C TN6974
O=Cc1ccc(COCc2ccc(C=O)o2)o1 TN6975
COc1cc(cc(OC)c1O)[C@H]1Oc2ccc3ccc(=O)oc3c2O[C@@H]1CO TN6981
CCOC(=O)c1ccccc1C(=O)OCC TN6982
COc1c(O)cc2ccc3cc(O)ccc3c2c1OC TN6984
CC(=C)\C=C\C\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 TN6985
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O TN6986
Nc1nc2ncc(nc2c(=O)[nH]1)C(O)=O TN6988
CC(C)C1CC=C(C)C=C1 TN6990
CCCCCCCCCCCCCCO TN6991
CCCCCCCCCCCCCCCCCCCC TN6992
CC(=O)C=Cc1ccccc1 TN6993
CCCCCCCCCCCCCC(=O)OCC TN6994
C[C@H](CC\C=C(\C)C)C1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(CC35CC[C@]12C)CC[C@H](OC(C)=O)C4(C)C TN6995
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 TN6997
CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C1)C(CO)=CC2=O TN6998
CCCCCCCC\C=C\CCCCCCCC(=O)OC TN6999
OC[C@H]1O[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O TN7000
C[C@H]1CCC2=C(C)CC[C@H](C[C@@H]12)C(C)(C)O TN7001
CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC TN7002
CC(=C)C(COC(C)=O)C\C=C(/C)C TN7003
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 TN7004
COc1cc2CCN3Cc4c5OCOc5ccc4[C@H](C)[C@@H]3c2cc1OC TN7005
OC[C@@]12OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]2O TN7007
CCCCC\C=C\C\C=C\CCCCCCCC(O)=O TN7008
OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O TN7009
CCC=CCC=CCC=CCCCCCCCCCC(=O)OC TN7011
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 TN7012
CCCC\C=C/CCCCCCCC(=O)OC TN7013
CCCCCCCCCCCCCCCCCCCCC(=O)OC TN7014
CCCCCCCCCCCCCCCCCCCCCCCCC TN7015
CCCCCCCCCCCCCCCCCCCCCCCCCC TN7016
CCCCCCCCCCCCCCCCCCCCCCCC TN7017
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC TN7019
CC(C)([C@H](Cc(c(OC)cc(O1)c2C=CC1=O)c2OC)O)O TN7021
CC(C)([C@@H](Cc(c(OC)cc(O1)c2C=CC1=O)c2OC)O)OC TN7021L
COc1cc(C=C)cc(OC)c1O TN7025
COC1=C2C([C@H](O)[C@@]([C@H](C)C3)(C)[C@@]24C3=CC(OC)=C(OC)C4=O)=CC5=C1OCO5 TN7030
CC1OC(=O)C(O)=C1C TN7031
CCCCCCCCCCCCCCC(NCc1ccccc1)=O TN7035
OC[C@H](CO[C@@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O)OC(/C=C/c(cc1)ccc1O)=O TN7038
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1Oc1cc(O[C@@H]([C@H](C2=O)O)c(cc3)cc(O)c3O)c2c(O)c1 TN7040
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1c(c(O)c(c(Oc(cc1)c2cc1O)c1)C2=O)c1O TN7043
N[C@@H](CCC(N[C@@H](CSCc(cc1)ccc1O)C(NCC(O)=O)=O)=O)C(O)=O TN7044
O=C(NCCc1ccccc1)c1ccccc1 TN7045
O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1O[C@H]2[C@@]3([H])[C@@]([C@H](OC)[C@@]4([H])[C@]3(CO)O4)([H])C=CO2 TN7047
[K+].Oc1ccc2cccc(c2c1)S([O-])(=O)=O TN7050
Oc1ccc(C=O)c(O)c1 TN7051
O=CN(C[C@H](C1)CN23)C[C@@H]1C3=CC=CC2=OO=CN(C[C@H](C1)CN23)C[C@@H]1C3=CC=CC2=O TN7054
COC(C=C(C=Cc(cc1)cc(OC)c1OC)O1)=CC1=O TN7056
[H][C@](Cc1ccc(O)c(O)c1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O TN7057
COc1cc2CCC(C)(C)Oc2c2ccccc12 TN7058
CC1(C)C(CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@](C(OC)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H])=O TN7060
CC(c(c1c2OC)ccc2OC)=C(c(cc2OC)c(CC3)cc2OC)N3C1=O TN7061
C[N+](C)(C)CCC1=CC=C(C=C1)O TN7064
C[N+](C)(C)CCC1=CC(=C(C=C1)O)O TN7066
[H][C@]1([C@@]2(C3)C4=C(O)C(OC)=CC=C4C[C@]1([H])[N+](C)([O-])CC2)C=C(OC)C3=O TN7068
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H](CC1)[C@]2(C)[C@@H]1C1=CC=C(C[C@H](CC3)OC(C)=O)[C@@]3(C)[C@H]1CC2 TN7071
OC(=O)\C=C\c1ccc2OCOc2c1 TN7074
OC(C(Cc(cc1)ccc1O)C(O)=O)=OOC(C(Cc(cc1)ccc1O)C(O)=O)=O TN7078
OC[C@H]([C@]([C@@H]1O)(O)O[C@H](CO)[C@H]1O)O TN7080
CCC(=O)c1cc(OC)c(O)c(OC)c1 TN7086
COC1=CC(=O)C(OC)=CC1=O TN7087
CC(c(ccc(O[C@@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O)c1O)c1O)=O TN7090
OC([C@H](Cc1c[nH]c2c1cccc2)NC(/C=C/c(cc1)cc(O)c1O)=O)=O TN7093
CC(C)([C@H](C1)Oc(cc2OC(C)=C3)c1c(O)c2C3=O)O[C@@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O TN7098
C[C@H](CCC(C(C)C(O)=O)=C)[C@@H](CC1)[C@@](C)(C2)[C@@H]1C(CC[C@@H]([C@@H]1C)[C@]3(C)CCC1=O)=C3C2=O TN7099
CC([C@](C[C@@](O1)2[H])3[H])=CC([C@@H](O)[C@]3(C)[C@]4([H])[C@]2(CO[C@@]4(O)[C@H](O)[C@@H]5C)[C@@]5(O)[C@@H](O)C1=O)=O TN7103
OC(=O)c1cccc2nc3ccccc3nc12 TN7105
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O TN7106
N[C@@H](CSCC(C(O)=O)C)C(O)=O TN7107
Oc1ccc2c(c1)oc(=O)c1cc(O)c(O)cc21 TN7108
C[C@@](C[C@](C(C1)=C2C)(O)OC2=O)([C@@H]1C(C)=C)C=C TN7111
CC(=C)C(N)=O TN7113
COc1cc(OC)cc(\C=C\c2ccccc2)c1 TN7115
CC(=O)O.C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)O TP1060
CC(=O)NCCC(=O)NC(Cc1cnc[nH]1)C(O)=O TP1088
NCC(=O)NCC(=O)N1CCC[C@H]1C(O)=O TP1156
[Cu++].NCCCCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)CN)C([O-])=O TP1158
CC(C)(OC(NCC(NCC(N[C@H](C(NCC(O)=O)=O)CC1=CC=CC=C1)=O)=O)=O)C.CC(O)=O TP1159L
NC(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O TP1167
C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3 TP1186
O=C(NC1CC2=CC=CC=C2)C3CCCN3C1=O.CC(O)=O TP1186L
C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O.OC(C(F)(F)F)=O TP1217L
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(O)=O TP1264
FC(F)(F)C(O)=O.C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N TP1266
O=C([C@H](CC1=CNC2=C1C=CC=C2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(N)=N)N)=O)CCC(N)=O)=O)[C@H](CC)C)=O)CCCCN)=O)[C@H](CC)C)=O)N[C@@H](CC3=CC=CC=C3)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(N[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)CCCCN)=O)=O)CCCCN)=O)CCSC)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CC(N)=O)=O)CCC(N)=O)=O.OC(C(F)(F)F)=O TP1318
FC(F)(F)C(O)=O.C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O TP1370L
CC(C)C[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 TP1399
O=C(O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cncn1)Cc2c3ccccc3nc2C TP1426
C[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 TP1437
CC(C)C[C@H](NC([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CO)=O)C(O)=O TP1472
CC(O)=O.O=C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](C)C(O)=O)=O)=O)[C@H](CC(O)=O)N TP1484L
C[C@H](NC([C@@H](NC=O)CCSC)=O)C(N[C@H](C(O)=O)CO)=O.O=C(O)C(F)(F)F TP1672L
O=C([C@H](CCC1)N1C(CNC([C@H](CS)NC([C@@H](N)CCCNC(N)=N)=O)=O)=O)N[C@@H](CC(O)=O)C(N[C@@H](CS)C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@@H](CC(N)=O)C(N[C@H](C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CS)C(N[C@H](C(O)=O)CC2=CC=CC=C2)=O)=O)CC3=CC=C(O)C=C3)=O)=O)CC4=CC=C(O)C=C4)=O)=O)=O)CC5=CC=C(O)C=C5)=O)=O)=O)CC6=CC=CC=C6)=O)=O.OC(C(F)(F)F)=O TP1686L
C(CC(=O)NC(CCC(=O)O)C(=O)O)C(C(=O)O)N.CC(O)=O TP1766L
CC(=O)N[C@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(O)=O TP1828
O=C(C)O.C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CN TP1861L
CC(O)=O.C[C@@H](C(O)=O)NC(CNC([C@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CO)NC([C@H](CC3=CC=CC=C3)NC([C@H](C)NC([C@H](CO)NC([C@H](CC(C)C)NC([C@H](CO)NC([C@H](CC(C)C)NC(CNC([C@H](CCCNC(N)=N)NC(CNC([C@H](CCCCN)NC(CN)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O TP1888L1
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N)N.OC(C(F)(F)F)=O TP1926
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)C.OC(C(F)(F)F)=O TP1933
[H]N[C@@H](CC1=CC=C(O)C=C1)C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(NCC(NCC(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N2CCC[C@H]2C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@@H](CO)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.O=C(O)C(F)(F)F TP1947L
[H]N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H](C(NCC(N[C@@H](C(NCC(N[C@@H](C(NCC(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(O)=O)CCC(N)=O)=O)CCCCN)=O)C)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CC1=CC=CC=C1)=O)C TP1981L
CC(O)=O.O=C(N)CC[C@@H](C(O)=O)NC([C@H](CCCCN)NC([C@H](C)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CC1=CC=CC=C1)NC([C@H](CO)NC([C@H]([C@H](O)C)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](C(C)C)NC(CNC([C@H](CO)NC(CNC([C@H](C(C)C)NC(CNC([C@H](CC(N)=O)NC([C TP1982L
CC(O)C1C(NC(C(NC(C(N)=O)C(O)C)=O)C(C)(C)SSCC(NC(C(N)CC2=CC=CC=C2)=O)C(NC(CC3=CC=C(O)C=C3)C(NC(CC4=CNC5=CC=CC=C54)C(NC(CCC/N=C(N)\N)C(N1)=O)=O)=O)=O)=O.O=C(O)C(F)(F)F TP2050L
O=C(N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C)[C@H](C)NC(=O)[C@H](Cc3cnc2ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]4CCC(=O)N4)CCCCNc5ccc(c6onnc56)[N+]([O-])=O TP2304
H-Cys-Lys-Gly-Gly-Arg-Ala-Lys-Asp-Cys-Gly-Gly-D_(Lys-Leu-Ala-Lys-Leu-Ala-Lys)2Disulfidebridge TP2306
O=C(O)[C@@H](NC([C@@H](NC([C@@H](N)CCC(O)=O)=O)CC(O)=O)=O)CCC/N=C(N)/N.CC(O)=O TP2307
Glu-Gln-Lys-Leu-Ile-Ser-Glu-Glu-Asp-Leu(TFA TP2311
CC(=O)O.C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN TP2314
C1C[C@H](NC1)C(=O)N[C@@H](CC(=O)O)C(=O)O.C(=O)(C(F)(F)F)O TP2318
Oc1ccc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)cc1 TP2333
CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=O TP2339
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(O)=O TP2354
OC(C(Cc1c[nH]c2c1cccn2)NC(OCC1c(cccc2)c2-c2c1cccc2)=O)=O TP2359
CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O TP2366
CC(=O)Nc1ccc(OCCOCCOc2ccc(NC(C)=O)cc2)cc1 TP2378
COc1ccccc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCC1 TP2383
NCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O TP2397
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O TP2398
NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(N)=O TP2414
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O TP2415
CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cc(F)cc(F)c3)c2c1 TP2417
O=C(O)CNC([C@H](CCCCN)NC([C@H](CCC(O)=O)NC(CN)=O)=O)=O.CC(O)=O TP2489
O=C(O)[C@H]1N(C([C@H]2N(C(CN)=O)CCC2)=O)C[C@H](O)C1.CC(O)=O TP2495
CC(C)C12CCC(C)(CC1)O2 TQ0001
O=C1Nc2cc3[nH]nc(-c4ccncc4)c3cc2CN1Cc1ccccc1 TQ0005
Nc1ccn([C@@H]2O[C@H](CO)[C@](O)(C#C)[C@H]2O)c(=O)n1 TQ0006
CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O TQ0008
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3n(C)ncc23)c(C)c1 TQ0009
Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1 TQ0010
Cc1[nH]c2c(N3CCO[C@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F TQ0011
CC(C)(C)n1cc(CN(Cc2cn(CC(O)=O)nn2)Cc2cn(nn2)C(C)(C)C)nn1 TQ0013
O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1)C1CC1 TQ0014
O=C(NC1=CC=C(F)C(F)=C1)C2=CC(S(=O)(N[C@H](C)CC)=O)=CC=C2F TQ0017
Nc1nc(N)n(C2O[C@H](CO)C(O)C2O)c(=O)n1 TQ0018
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1 TQ0019
CN(C(C)=O)c1cc(ccc1F)-c1ccnc2c(cnn12)C(=O)c1cccs1 TQ0023
OC(CC(O)=O)CC(O)=O TQ0024
C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)(F)F)C(F)F)c1ccc(cc1)C(O)=O TQ0025
COCCCc1ccc2oc(cc2c1)-c1ccc(OC)c(OC)c1 TQ0026
[Na+].[Na+].C\C(\C=C\C=C(/C)C([O-])=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C([O-])=O TQ0027
Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc3n(C)ccc3c2)cc1C(O)=O TQ0028
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(NC(=O)C(C)(C)CO)cc1 TQ0030
C[C@]12CC[C@@H]([C@@H](CN)[C@@H]1CCC2=C)[C@@]1(C)CC[C@H](O)C[C@@H]1CO TQ0032
CC(O)=O.C[C@]12CC[C@@H]([C@@H](CN)[C@@H]1CCC2=C)[C@@]1(C)CC[C@H](O)C[C@@H]1CO TQ0032L
Cc1cccc(F)c1C(=O)Nc1cnc(cn1)-c1cc2OC(F)(F)Oc2cc1Cl TQ0033
CC(C)C(=O)OC[C@@]1(CCl)OC([C@H](F)[C@@H]1OC(=O)C(C)C)n1ccc(N)nc1=O TQ0034
Cn1c2ccc(cc2oc1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O TQ0035
CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 TQ0037
Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 TQ0038
NC(C1=C2N(N=C1C3=CC=C(OC4=CC=CC=C4)C=C3)C(C5CCN(C(C=C)=O)CC5)CCN2)=O TQ0039
Cc1c(F)c(Nc2ccc(cn2)-c2cn(C)cn2)cc2n(CC3CC3)cnc12 TQ0040
C[C@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)ccc12 TQ0042
OC(COc1cccc2ncccc12)CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1 TQ0043
[O-][n+]1cccc(c1)-c1nc2c(Cl)cccc2cc1[C@@H](Nc1ncnc2cccnc12)C(F)(F)F TQ0044
O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1 TQ0046
Cl.OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 TQ0047
Oc1cc(cc2cccnc12)-c1cccc(c1)C(=O)NCCCc1ccccc1 TQ0050
OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)NCS(=O)(=O)c1ccc(F)cc1 TQ0051
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O TQ0053
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1ccco1 TQ0056
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2[nH]c(cc12)C#N TQ0058
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 TQ0059
CC(C)c1c(cc(cc2)-c3ccnc(N[C@H](CC4)CC[C@@H]4NC4CCOCC4)n3)c2nn1C TQ0060
CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(F)cc4F)nc3c2C)ccn1 TQ0061
[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1[C@@H](C)COC1=O TQ0063
CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C(O)=O TQ0064
[H][C@]12CCC3[C@]([H])(C(=O)C(O)[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(O)C2 TQ0065
CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 TQ0066
CS(=O)(=O)N1CCC(CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl TQ0068
O[C@H]1[C@H](Oc2cc(ccc2O)-c2cc(=O)c3c(O)cc(O)cc3o2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O TQ0070
O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 TQ0071
CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)cc1)c2=O TQ0072
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3\[C@H](O)COC3=O)C(=C)CC[C@H]12 TQ0073
ONC(=O)c1cnc(NC2(CCCCC2)c2cccc(F)c2)nc1 TQ0074
COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 TQ0075
COc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl TQ0078
Nc1ncc(C(=O)NC2CN(C2)C(=O)C2CC2)c2ccc(nc12)-c1cccc(F)c1 TQ0079
N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O TQ0081
Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 TQ0082
COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N TQ0083
Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 TQ0086
OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)C1O TQ0089
CNC(=O)c1c(oc2cc(N(CCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1 TQ0090
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1 TQ0091
CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O TQ0094
C/C=C(C)\C(O[C@@H](CC1=C2)[C@]3([H])[C@@](OC(C3=C)=O)([H])/C=C(C)/C[C@]2([H])OC1=O)=O TQ0096
Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O TQ0097
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(COC(C)=O)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C TQ0099
CN1CCN(CC1)C(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1 TQ0101
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@]12O TQ0102
Cl.Cl.CC[C@@H](N)CNc1ccnc(n1)-c1cc(ccc1O)-c1cnn(C)c1 TQ0104
CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(cc12)C(O)=O TQ0105
[H]N(C(CCC(O)=O)=O)[C@H](CC(C=C1)=CC=C1C2=CC=CC=C2)C[C@H](C(O)=O)C TQ0106
CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O TQ0107
CC(C)(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O TQ0108
Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12 TQ0110
COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1 TQ0111
COc1cc(Cc2cnc(N)nc2N)c2C=CC(Oc2c1OC)C1CC1 TQ0113
CC(C)S(=O)(=O)NCCc1ccc(CCNS(=O)(=O)C(C)C)cc1 TQ0114
CCN(CC=CC#CC(C)(C)C)Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1 TQ0115
CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1 TQ0116
CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O TQ0117
[H][C@@]12CC(C)=C([C@@H](C)CCCO)[C@H](O)[C@]1([H])C(=C)C(=O)O2 TQ0118
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 TQ0119
[K+].COC1CCC(CC1)N(C(=O)C1CCC(C)CC1)c1cc(sc1C([O-])=O)C1=CCCCC1 TQ0122
O=C(C1=C(N([C@H]2CC[C@H](OC)CC2)C([C@H]3CC[C@H](C)CC3)=O)C=C(C4=CCCCC4)S1)O TQ0122L
C[C@H](\C=C\C(=O)C1CC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C TQ0123
CCS(=O)c1nc(cc(n1)C(F)(F)F)-c1cccc(OCc2ccccc2)c1 TQ0124
CC1(C)OC(CN1C(=O)C(Cl)Cl)c1ccco1 TQ0128
CC(C)CC(CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCCN)C(C)(C)C TQ0129
Clc1cc(COc2nc(N3CCNCC3)cnc2)ccc1 TQ0130
Cl.Cl.NCCCNCCS TQ0133
OC(C(O)=O)c1ccc(O)c(O)c1 TQ0135
OCC1O[C@@H](C(O)C1O)n1cnc2c(N[C@H]3CCCC3O)ncnc12 TQ0136
CCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O TQ0137
Cl.CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1 TQ0138
Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1 TQ0139
OC(=O)\C=C/C(O)=O.CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 TQ0140
CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 TQ0141
COC(=O)C1=C(C)NC(C)=C([C@H]1c1ccccc1C(F)(F)F)[N+]([O-])=O TQ0144
COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccccc1C(F)(F)F)[N+]([O-])=O TQ0145
CCCCCC[C@@H](CCC)C(O)=O TQ0147
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(cc(=O)[nH]c1=O)C(O)=O TQ0148
Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 TQ0149
CC(O1)(C)[C@@H](O)[C@H](N2CCCC2=O)C3=C1C=CC(C#N)=C3 TQ0150
CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 TQ0151
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C TQ0153
Nc1nc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)[nH]c2c(=O)[nH]1 TQ0154
Cl.CCCCN1CC(O)[C@@H](O)C(O)C1CO TQ0155
CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 TQ0156
CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N TQ0157
N[C@@H](COC(=O)C=[N+]=[N-])C(O)=O TQ0158
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(OC)ccc4[C@@]3([H])CC[C@]12C)NCCCCCCN1C(=O)CCC1=O TQ0159
[H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2cc3OCOc3cc12 TQ0160
CC(C)=CCc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1O)c(CC=C(C)C)c2=O TQ0161
Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]2O)c(=O)n1 TQ0162
[H][C@@]12CC[C@]3(C)O[C@@]33CC=C(C)[C@]3([H])[C@@]1([H])OC(=O)C2=C TQ0165
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C)C[C@H]2C1 TQ0166
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F TQ0167
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O TQ0169
[H][C@]12CC[C@]3([H])[C@]([H])(CCC4(C)[C@H](C(O)[C@H]5O[C@@]345)c3ccc(=O)oc3)[C@@]1(C)CCC(O)C2 TQ0170
NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 TQ0174
CCCN[C@@H]1CCc2nc(N)sc2C1 TQ0175
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC TQ0176
COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccc(F)cc1 TQ0178
O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1 TQ0179
CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl TQ0181
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F TQ0182
OC1C=C2C(NC(=O)c3c(O)c4OCOc4cc23)C(O)C1O TQ0183
[H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CCC(O)[C@@]2(C)CO TQ0185
COc1ccc2c3C[C@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@@H](CCC(=O)OC(C)(C)C)NC4=O TQ0186
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 TQ0187
O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O TQ0188
OC[C@H]([C@@H](C(CO)=O)O)O TQ0190
COC1=CC(=O)O[C@@H](CCc2ccc3OCOc3c2)C1 TQ0191
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 TQ0192
CN(C)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O TQ0193
CCCCCC\C=C\CCCCCCCCCC(O)=O TQ0194
OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O TQ0195
CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O TQ0197
CC(C=CC(C)C(C)(C)O)C1CCC2C(CCCC12C)=CC=C1CC(O)CC(O)C1 TQ0200
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 TQ0201
CC1CCCC(C)=CCC(OC(=O)CC(O)C(C)(C)C(=O)C(C)C1O)C(C)=Cc1csc(C)n1 TQ0202
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COc1ccccc1 TQ0203
CS(=O)CCCCN=C=S TQ0207
N[C@@H](CCSC[C@H]1OC(C(O)C1O)n1cnc2c(N)ncnc12)C(O)=O TQ0208
[H][C@]12[C@@]3(O)OC[C@@]11[C@@]([H])(C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]24C)OC(=O)C[C@@]1([H])C(=C)[C@H]3O TQ0209
C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 TQ0210
CS(=O)CCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS(O)(=O)=O TQ0212
COc1ccc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC TQ0214
C[C@H](\C=C\C(C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C TQ0216
CC1=C(CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC1 TQ0218
Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1 TQ0219
OC(=O)c1nn(CCc2ccccc2)cc1NC(=O)CSc1ccc(Br)cc1 TQ0220
Cl.CN1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(C(O)=O)c2=O TQ0221
OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 TQ0227
COCCNCCc1cccc(Nc2ncc3C[C@@H](c4ccccc4F)c4ccccc4-c3n2)c1 TQ0228
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 TQ0229
Clc1cccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1 TQ0230
OC1(C2=CC=CC=C2)CCN([C@@H](C)[C@@H](O)C3=CC=C(O)C=C3)CC1 TQ0233
OC1(C2=CC=CC=C2)CCN([C@@H](C)[C@@H](O)C3=CC=C(O)C=C3)CC1 TQ0233L
[H][C@@]12CC[C@]3(C)O[C@@]33CC[C@@](C)(O)[C@]3([H])[C@@]1([H])OC(=O)C2=C TQ0234
CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O TQ0236
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 TQ0237
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 TQ0238
OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N TQ0241
O.[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](O)C3CC3)[C@@]1(C)CCC\C2=C/C=C1/CC(O)CC(O)C1=C TQ0244
CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1 TQ0245
[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO TQ0246
[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)(C)O TQ0248
[H][C@@]12CCC3(C)C(C(O)CC4=C(CC[C@]34C)C(C)C[C@H](O)[C@@H](O)C(C)=C)[C@@]1(C)CCC(=O)C2(C)C TQ0249
CCCCCCC\C=C/C(O)=O TQ0251
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCO TQ0252
C[C@@H](c1ccccn1)n1cc(-c2ccc(cc2)C(O)=O)c2ncc(cc12)-c1c(C)noc1C TQ0253
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc23)ncc1C#N TQ0256
O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12 TQ0257
CC[C@@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31 TQ0258
[H][C@]1(O[C@]1([H])C(=O)CC\C=C\C\C=C\C)C(N)=O TQ0260
CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O TQ0262
COc1c(O)c(=O)n2c3ccccc3c3ccnc1c23 TQ0264
O=C(O)C(O)Cc2cnc1ccccc12 TQ0265
Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 TQ0266
CN1CCC(CC1)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 TQ0271
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O TQ0272
Nc1nc(O)c2nc(cnc2n1)C(O)C(O)CO TQ0273
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@@H](C)CO TQ0274
CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C TQ0275
COC1=CC(=O)OC(C1)\C=C\c1ccc2OCOc2c1 TQ0276
NC(C(O)=O)c1cc(O)no1 TQ0279
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C=C2CO TQ0280
OCC(c(cc1)cc(O)c1O)O TQ0281
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OC)-c1ccncc1 TQ0282
FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1 TQ0283
OC(Cc1ccc(O)cc1)C(O)=O TQ0284
CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O TQ0285
Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@]3(CC2)OC(=O)c2ccncc32)n1 TQ0286
O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O TQ0287
COc1cc(CCC(O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O TQ0288
CC(C)S(NC[C@H](C)c(cc1)ccc1NC(c1cc(F)cc(F)c1)=O)(=O)=O TQ0289
CC(C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c1ccc(F)c2ccccc12 TQ0290
CCOCc1cc(OC)c(c(OC)c1)-c1ccc(C[C@H](NC(=O)c2c(F)cccc2F)C(O)=O)cc1 TQ0291
CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 TQ0292
Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12 TQ0295
[H][C@]12Cc3ccccc3-c3c(OC)c(OC)cc(CCN1)c23 TQ0296
Cl.[H][C@]12Cc3ccccc3-c3c(OC)c(OC)cc(CCN1)c23 TQ0296L
OC[C@H]1NCC[C@@H](O)C1O TQ0298
CCCCCCOc1ccccc1C(N)=O TQ0299
O[C@H]1C2O[C@@H]2[C@H](O)[C@@H](O)C1O TQ0300
CC(C)=CCc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c2C=CC(C)(C)Oc12 TQ0301
O.Cl.CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1 TQ0304
Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C TQ0305
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C TQ0306
COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC TQ0307
O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 TQ0308
[H][C@@]12CCC3[C@@H](OC(C)=O)[C@@]1(C(O)C[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)C(=O)C3=C TQ0309
Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12 TQ0310
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 TQ0311
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(cc1)C(C)(C)C#N)C#Cc1cccnc1 TQ0313
CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1 TQ0314
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 TQ0315
[H][C@@]12OC(C)(C)OCC1=C[C@@]1([H])[C@H]3[C@@H](C[C@@H](C)[C@@]4(C=C(C)[C@H](OC(=O)C(\C)=C/C)C24O)C1=O)C3(C)C TQ0316
COc1cc2N=C3NNC(C)=C3N=C(c3ccccc3Cl)c2cc1F TQ0317
CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC TQ0318
O.O.Cl.C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 TQ0319
O=Cc1ccccc1 TWO2659
OS(O)(=O)=O.Nc1ccc(cc1)N(CCO)CCO TWO2724
Cc1c[nH]c(=O)[nH]c1=O TWO2759
OC1C2CC3CC(C2)CC1C3 TWO2771
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O TWP2911
COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccccc4-c(c1OC)c23 TWS0704
C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C TWS1229
C\C=C(\C)C(=O)OC(=O)C(\C)=C/C TWS1293
CC(C)[C@]12CC[C@@](C)(O1)[C@H](O)CC\C(C)=C/CC\C(C)=C/C2 TWS1563
OC[C@H]1O[C@@H](Oc2c(O)cc3ccc(=O)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O TWS1613
CC1(C)CC[C@H](O)[C@@]2(CO)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3([C@H](O)C[C@H]12)C(=O)C4=C TWS1977
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O TWS2045